Geometry & MOs

Info

ID:

137708

PubChem CID:

52247152

Reduced:

ClNS2O3H11C13 (1)

Stoich.:

ABC2D3E11F13 (1)

Weight, g/mol:

303.986888

ΔHf, kcal/mol:

8.58

Dipole, Da:

11.32

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.895840

Charge, e:

 -1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=NS(=O)(=O)C2=CC=C(S2)Cl)[O-])C

DOS

IR

Vibrations