Geometry & MOs

Info

ID:

412057

PubChem CID:

135084920

Reduced:

CuC2H2N2S2O4F6 (1)

Stoich.:

AB2C2D2E2F4G6 (1)

Weight, g/mol:

663.057512

ΔHf, kcal/mol:

-367.26

Dipole, Da:

3.86

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757162

Charge, e:

 0

Chem-info

IUPAC name:

cobalt;(6E)-4,5-dichloro-6-[[[(1S,2S)-2-[[(E)-[2,3-dichloro-5-(2-methylpropoxy)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]cyclohexyl]amino]methylidene]-2-(2-methylpropoxy)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C(F)(F)(F)S(=O)(=O)[NH-].C(F)(F)(F)S(=O)(=O)[NH-].[Cu+2]

DOS

IR

Vibrations