Geometry & MOs

Info

ID:	71839
PubChem CID:	48415524
Reduced:	SO3N4C21H26 (1)
Stoich.:	AB3C4D21E26 (1)
Weight, g/mol:	325.15904
ΔH_f, kcal/mol:	-69.68
Dipole, Da:	2.49
IP(EA), eV:	-8.91(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-3-fluoro-N,4-dimethylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations