Geometry & MOs

Info

ID:	158271
PubChem CID:	56463265
Reduced:	SCl2N2O4C16H20 (1)
Stoich.:	AB2C2D4E16F20 (1)
Weight, g/mol:	422.073692
ΔH_f, kcal/mol:	-171.73
Dipole, Da:	8.98
IP(EA), eV:	-9.94(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)sulfonyl-N-(2-ethylsulfonylethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1CCCN1C(=O)C2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations