Geometry & MOs

Info

ID:	193670
PubChem CID:	78422162
Reduced:	SO4N5C27H32 (1)
Stoich.:	AB4C5D27E32 (1)
Weight, g/mol:	328.080769
ΔH_f, kcal/mol:	-6.42
Dipole, Da:	16.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.089946
Charge, e:	0

Chem-info

IUPAC name:

6-[(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-1,6-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=CNNC(=O)CSC2NNC([NH+]2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C)C1=O

DOS

IR

Vibrations