 |
2MO : Summary
Code 
|
2MO
|
One-letter code
|
X
|
Molecule name
|
MOLYBDENUM (IV)OXIDE
|
Systematic names
|
|
Formula
|
Mo O2
|
Formal charge
|
0
|
Molecular weight
|
127.939 Da
|
SMILES
|
| Type | Program | Version | Descriptor |
|---|
|
SMILES
|
ACDLabs |
10.04 |
O=[Mo]=O |
|
SMILES
|
CACTVS |
3.385 |
O=[Mo]=O |
|
SMILES
|
OpenEye OEToolkits |
2.0.7 |
O=[Mo]=O |
|
Canonical SMILES
|
CACTVS |
3.385 |
O=[Mo]=O |
|
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
O=[Mo]=O |
|
IUPAC InChI | InChI=1S/Mo.2O |
IUPAC InChI key | QXYJCZRRLLQGCR-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count
|
3 (3 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
1999-07-08
|
Last modified at
|
2023-09-23
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|
|
2MO : Atoms of Molecule
Total Number of Atoms: 3
| Record |
Atom Name |
Symbol |
PDB Name |
Stereochemistry |
Is Aromatic |
Is Leaving Atom |
Charge |
X-Coordinate |
Y-Coordinate |
Z-Coordinate |
| 1 |
MO |
MO |
MO |
N |
N |
N |
0 |
0.0 |
-0.218 |
0.0 |
| 2 |
OT1 |
O |
OT1 |
N |
N |
N |
0 |
-1.51 |
0.654 |
0.0 |
| 3 |
OT2 |
O |
OT2 |
N |
N |
N |
0 |
1.51 |
0.654 |
0.0 |
2MO : Chemical Bonds
Total Number of Bonds: 2
| Record |
First Atom |
Second Atom |
First Element |
Second Element |
Bond Order Type |
Bond Length |
Bond Stereochemistry |
Is Aromatic |
| 1 |
MO |
OT1 |
MO |
O |
doub |
1.74 |
N |
N |
| 2 |
MO |
OT2 |
MO |
O |
doub |
1.74 |
N |
N |
2MO : Used in PDB Entries
Total Number of PDB Entries: 7
|
Protein Data Bank 
