Geometry & MOs

Info

ID:

167471

PubChem CID:

74832597

Reduced:

N3O3C19H19 (1)

Stoich.:

A3B3C19D19 (1)

Weight, g/mol:

1579.634493

ΔHf, kcal/mol:

-54.69

Dipole, Da:

6.45

IP(EA), eV:

 -9.04(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

2-amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid;cobalt;[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)-3,5,8,8,13,15,18,19-octamethyl-1,2,7,12,17,23-hexahydrocorrin-3-yl]propanoylamino]propan-2-yl phosphate

Drug info:

PubChemData

Smile

C1=CC2=C(NC=C2C=CC(=O)NC(CC3=CC=C(C=C3)O)CO)N=C1

DOS

IR

Vibrations