Geometry & MOs

Info

ID:

396856

PubChem CID:

135029350

Reduced:

CuO2C8H8 (1)

Stoich.:

AB2C8D8 (1)

Weight, g/mol:

310.077599

ΔHf, kcal/mol:

14.01

Dipole, Da:

3.59

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.033518

Charge, e:

 0

Chem-info

IUPAC name:

[(Z)-3,4-dioxo-1,4-diphenylbut-1-enyl] carbamimidothioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C/O)/O.[Cu]

DOS

IR

Vibrations