Geometry & MOs

Info

ID:	71828
PubChem CID:	48415513
Reduced:	SO3N4C21H26 (1)
Stoich.:	AB3C4D21E26 (1)
Weight, g/mol:	389.0539
ΔH_f, kcal/mol:	-72.84
Dipole, Da:	6.36
IP(EA), eV:	-8.99(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-bromo-5-fluoro-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)NS(=O)(=O)C1=CC=CC(=C1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations