Geometry & MOs

Info

ID:	158557
PubChem CID:	56464172
Reduced:	S2O3N4C18H26 (1)
Stoich.:	A2B3C4D18E26 (1)
Weight, g/mol:	402.161329
ΔH_f, kcal/mol:	-98.3
Dipole, Da:	5.47
IP(EA), eV:	-8.71(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonylethyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C)C

DOS

IR

Vibrations