Geometry & MOs

Info

ID:	61965
PubChem CID:	26716335
Reduced:	SN2O4C24H24 (1)
Stoich.:	AB2C4D24E24 (1)
Weight, g/mol:	442.111791
ΔH_f, kcal/mol:	-103.69
Dipole, Da:	8.69
IP(EA), eV:	-9.22(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations