Geometry & MOs

Info

ID:

125066

PubChem CID:

50908660

Reduced:

CuN2O2S2H32C34 (1)

Stoich.:

AB2C2D2E32F34 (1)

Weight, g/mol:

658.068689

ΔHf, kcal/mol:

138.12

Dipole, Da:

4.53

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.770105

Charge, e:

 0

Chem-info

IUPAC name:

zinc;benzene-1,2-dithiolate;2-N,4-N-bis(4-nitrophenyl)-3-[(E)-3-phenylprop-2-enylidene]pentane-2,4-diimine

Drug info:

PubChemData

Smile

CC(=NC1=CC=C(C=C1)OC)C(=C/C=C/C2=CC=CC=C2)C(=NC3=CC=C(C=C3)OC)C.C1=CC=C(C(=C1)[S-])[S-].[Cu+2]

DOS

IR

Vibrations