Geometry & MOs

Info

ID:	60555
PubChem CID:	26697185
Reduced:	ClNSO3C16H16 (1)
Stoich.:	ABCD3E16F16 (1)
Weight, g/mol:	422.166414
ΔH_f, kcal/mol:	-94.03
Dipole, Da:	2.33
IP(EA), eV:	-8.78(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

DOS

IR

Vibrations