Geometry & MOs

Info

ID:	158551
PubChem CID:	56464163
Reduced:	INSO5C13H18 (1)
Stoich.:	ABCD5E13F18 (1)
Weight, g/mol:	402.128314
ΔH_f, kcal/mol:	-168.4
Dipole, Da:	6.11
IP(EA), eV:	-8.94(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzylsulfonyl-N-(2-ethylsulfonylethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CC(=C(C=C1I)OC)OC

DOS

IR

Vibrations