Geometry & MOs

Info

ID:

193685

PubChem CID:

78423819

Reduced:

SO3C12H13 (1)

Stoich.:

AB3C12D13 (1)

Weight, g/mol:

239.961909

ΔHf, kcal/mol:

-89.04

Dipole, Da:

3.78

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755010

Charge, e:

 -1

Chem-info

IUPAC name:

2-cyano-3-(2,4-dichlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)C2=CC=CS2)C(=O)[O-]

DOS

IR

Vibrations