Geometry & MOs

Info

ID:	158553
PubChem CID:	56464167
Reduced:	ClINSO3C11H13 (1)
Stoich.:	ABCDE3F11G13 (1)
Weight, g/mol:	472.094963
ΔH_f, kcal/mol:	-99.2
Dipole, Da:	1.96
IP(EA), eV:	-9.86(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonylethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CC(=C(C=C1)Cl)I

DOS

IR

Vibrations