Geometry & MOs

Info

ID:	122486
PubChem CID:	50808806
Reduced:	ClSN2O3C21H29 (1)
Stoich.:	ABC2D3E21F29 (1)
Weight, g/mol:	438.083863
ΔH_f, kcal/mol:	-136.77
Dipole, Da:	2.57
IP(EA), eV:	-9.25(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCNC(=O)C2CCCN(C2)S(=O)(=O)CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations