Geometry & MOs

Info

ID:

134195

PubChem CID:

51661112

Reduced:

ClN4O5H22C24 (1)

Stoich.:

AB4C5D22E24 (1)

Weight, g/mol:

324.073279

ΔHf, kcal/mol:

-114.5

Dipole, Da:

11.12

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.028154

Charge, e:

 -1

Chem-info

IUPAC name:

2-[(4-imidazol-1-yl-3-nitrobenzoyl)amino]pyridin-3-olate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)NC2=CC(=CC=C2)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Cl)OC

DOS

IR

Vibrations