Geometry & MOs

Info

ID:	264452
PubChem CID:	103462789
Reduced:	ON2C14H22 (1)
Stoich.:	AB2C14D22 (1)
Weight, g/mol:	330.02016
ΔH_f, kcal/mol:	-49.72
Dipole, Da:	4.22
IP(EA), eV:	-8.62(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-(2,2-dimethylbutyl)-6-fluoro-1H-benzimidazole-2-thione

Drug info:

PubChemData

Smile

CCC(C)(C)CNC(=O)C1=CC=CC=C1NC

DOS

IR

Vibrations