Geometry & MOs

Info

ID:

232214

PubChem CID:

87575724

Reduced:

CuO3H10C11 (1)

Stoich.:

AB3C10D11 (1)

Weight, g/mol:

375.057743

ΔHf, kcal/mol:

-39.2

Dipole, Da:

4.06

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.879125

Charge, e:

 0

Chem-info

IUPAC name:

1,3-bis(4-ethoxyphenyl)thiourea;cobalt

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations