Geometry & MOs

Info

ID:	68793
PubChem CID:	46509099
Reduced:	SN2O5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	365.12949
ΔH_f, kcal/mol:	-166.26
Dipole, Da:	7.28
IP(EA), eV:	-8.49(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NS(=O)(=O)C)OC

DOS

IR

Vibrations