Geometry & MOs

Info

ID:	40286
PubChem CID:	8143874
Reduced:	SO2N4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	62.0
Dipole, Da:	3.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.778295
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=S)C4=CC=CC=C4

DOS

IR

Vibrations