Geometry & MOs

Info

ID:

137709

PubChem CID:

52247153

Reduced:

ClNS2O3C11H11 (1)

Stoich.:

ABC2D3E11F11 (1)

Weight, g/mol:

304.994713

ΔHf, kcal/mol:

-50.09

Dipole, Da:

4.96

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754903

Charge, e:

 0

Chem-info

IUPAC name:

(1R)-N-(5-chlorothiophen-2-yl)sulfonylcyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CC=C1)C(=NS(=O)(=O)C2=CC=C(S2)Cl)[O-]

DOS

IR

Vibrations