Geometry & MOs
Info
ID: |
83645 |
PubChem CID: |
49859591 |
Reduced: |
OC3H3 (3) |
Stoich.: |
AB3C3 (3) |
Weight, g/mol: |
505.273435 |
ΔHf, kcal/mol: |
-84.3 |
Dipole, Da: |
2.33 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.778248 |
Charge, e: |
3 |
Chem-info
IUPAC name:
[6-azaniumyl-1-[[(2R,3R,4S,5R,6R)-5-carbamoyloxy-4-hydroxy-6-(hydroxymethyl)-2-[(7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-3-ium-2-yl)amino]oxan-3-yl]amino]-1-oxohexan-3-yl]azanium