Geometry & MOs

Info

ID:	40075
PubChem CID:	8143529
Reduced:	ON2C22H22 (1)
Stoich.:	AB2C22D22 (1)
Weight, g/mol:	385.133437
ΔH_f, kcal/mol:	71.23
Dipole, Da:	3.37
IP(EA), eV:	-8.82(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-methoxyphenyl)-5-nitro-3-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole-2-thione

Drug info:

PubChemData

Smile

C/C(=N\NC(=O)[C@H]1C[C@H]1C2=CC=CC=C2)/C=C/C=C/C3=CC=CC=C3

DOS

IR

Vibrations