Geometry & MOs

Info

ID:

223229

PubChem CID:

85334716

Reduced:

NS3C12O19H20 (2)

Stoich.:

AB3C12D19E20 (2)

Weight, g/mol:

1332.595625

ΔHf, kcal/mol:

-1566.27

Dipole, Da:

9.26

IP(EA), eV:

 -10.66(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

carbanide;cobalt(2+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18-heptamethyl-2,7,12,14,17,19,23,24-octahydro-1H-corrin-3-yl]propanoylamino]propan-2-yl phosphate

Drug info:

PubChemData

Smile

C1=C(OC(C(C1O)OS(=O)(=O)O)OC2C(OC(C(C2O)NS(=O)(=O)O)OC3C(C(C(OC3C(=O)O)OC(C(COS(=O)(=O)O)O)C(C(CO)NS(=O)(=O)O)O)OS(=O)(=O)O)O)COS(=O)(=O)O)C(=O)O

DOS

IR

Vibrations