Geometry & MOs

Info

ID:	40285
PubChem CID:	8143873
Reduced:	SF2N4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	355.122872
ΔH_f, kcal/mol:	7.84
Dipole, Da:	3.88
IP(EA), eV:	-8.39(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations