Geometry & MOs
Info
ID: |
54695 |
PubChem CID: |
17389114 |
Reduced: |
SN2O2C9H12 (1) |
Stoich.: |
AB2C2D9E12 (1) |
Weight, g/mol: |
514.025992 |
ΔHf, kcal/mol: |
-38.51 |
Dipole, Da: |
4.1 |
IP(EA), eV: |
-8.76(-0.5) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
4-amino-N-[(E)-[4-[(E)-[(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonyl)hydrazinylidene]methyl]-2,5-bis(methylsulfanyl)thiophen-3-yl]methylideneamino]-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide