Geometry & MOs

Info

ID:

163450

PubChem CID:

57968385

Reduced:

CoO3H8C11 (1)

Stoich.:

AB3C8D11 (1)

Weight, g/mol:

232.021701

ΔHf, kcal/mol:

-49.89

Dipole, Da:

17.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.772588

Charge, e:

 0

Chem-info

IUPAC name:

(2,2-difluoro-2-methoxysulfonylethyl) propanoate

Drug info:

PubChemData

Smile

C#COC(=O)/C=C(/C1=CC=CC=C1)\O.[Co]

DOS

IR

Vibrations