Geometry & MOs

Info

ID:

164533

PubChem CID:

74413585

Reduced:

N2O19C25H41 (1)

Stoich.:

A2B19C25D41 (1)

Weight, g/mol:

914.285796

ΔHf, kcal/mol:

-854.53

Dipole, Da:

6.18

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757293

Charge, e:

 -8

Chem-info

IUPAC name:

3-[1-acetyl-8,13,17-tris(2-carboxylatoethyl)-2,7,12,18-tetrakis(carboxylatomethyl)-2,7,11,17-tetramethyl-3,10,15,21-tetrahydrocorrin-3-yl]propanoate

Drug info:

PubChemData

Smile

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)[O-])OCC2C(C(C(C(O2)OC3C(OC(C(C3O)NC(=O)C)O)CO)O)O)O)O

DOS

IR

Vibrations