Geometry & MOs

Info

ID:	122484
PubChem CID:	50808779
Reduced:	ClSN2O3C22H27 (1)
Stoich.:	ABC2D3E22F27 (1)
Weight, g/mol:	372.127441
ΔH_f, kcal/mol:	-108.6
Dipole, Da:	6.55
IP(EA), eV:	-8.46(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-1-[(2-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)CC3=CC=CC=C3Cl

DOS

IR

Vibrations