Geometry & MOs

Info

ID:	158558
PubChem CID:	56464174
Reduced:	SN2O4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	402.161329
ΔH_f, kcal/mol:	-144.04
Dipole, Da:	9.3
IP(EA), eV:	-9.05(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonylethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1CCN(CC1)C(=O)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations