Geometry & MOs

Info

ID:

125135

PubChem CID:

50911434

Reduced:

CuN2O2S4C20H26 (1)

Stoich.:

AB2C2D4E20F26 (1)

Weight, g/mol:

400.93358

ΔHf, kcal/mol:

97.83

Dipole, Da:

5.25

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.771891

Charge, e:

 2

Chem-info

IUPAC name:

copper;phenylcarbamodithioic acid

Drug info:

PubChemData

Smile

CC1CCC(=C2C(=O)NC(=S)S2)CC1.CC1CCC(=C2C(=O)NC(=S)S2)CC1.[Cu+2]

DOS

IR

Vibrations