Geometry & MOs

Info

ID:	196040
PubChem CID:	78769639
Reduced:	SO3N4C19H28 (1)
Stoich.:	AB3C4D19E28 (1)
Weight, g/mol:	295.11209
ΔH_f, kcal/mol:	-88.81
Dipole, Da:	5.59
IP(EA), eV:	-8.34(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-benzimidazol-2-ylmethyl)-3-(4-fluorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCCN(CC1)C)NC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations