Geometry & MOs

Info

ID:	175173
PubChem CID:	75864334
Reduced:	NSCl2O3C17H17 (1)
Stoich.:	ABC2D3E17F17 (1)
Weight, g/mol:	442.202321
ΔH_f, kcal/mol:	-64.97
Dipole, Da:	5.41
IP(EA), eV:	-8.85(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[4-methyl-1-oxo-1-(4-phenylmethoxypiperidin-1-yl)pentan-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2CC2)NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations