Geometry & MOs

Info

ID:	158562
PubChem CID:	56464179
Reduced:	NSO3C8H12 (2)
Stoich.:	ABC3D8E12 (2)
Weight, g/mol:	434.1334
ΔH_f, kcal/mol:	-236.45
Dipole, Da:	8.69
IP(EA), eV:	-9.29(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonylethyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC2

DOS

IR

Vibrations