Geometry & MOs

Info

ID:	158612
PubChem CID:	56464315
Reduced:	ClN2S2O5C15H23 (1)
Stoich.:	AB2C2D5E15F23 (1)
Weight, g/mol:	402.128314
ΔH_f, kcal/mol:	-215.81
Dipole, Da:	5.18
IP(EA), eV:	-10.12(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonylethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC(C)(C)C

DOS

IR

Vibrations