Geometry & MOs

Info

ID:	158443
PubChem CID:	56463653
Reduced:	SN3O3C23H27 (1)
Stoich.:	AB3C3D23E27 (1)
Weight, g/mol:	420.067734
ΔH_f, kcal/mol:	-66.19
Dipole, Da:	6.83
IP(EA), eV:	-9.34(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorobenzoyl)-N-(2-ethylsulfonylethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CN(N=C1C2=CC=C(C=C2)C)CC3=CC=C(C=C3)C

DOS

IR

Vibrations