Geometry & MOs

Info

ID:

53858

PubChem CID:

14718168

Reduced:

CuO2S2N4C32H34 (1)

Stoich.:

AB2C2D4E32F34 (1)

Weight, g/mol:

1052.285048

ΔHf, kcal/mol:

179.02

Dipole, Da:

9.99

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 3.447996

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diethyl-N'-(naphthalene-1-carbonyl)carbamimidothioate;gold(3+)

Drug info:

PubChemData

Smile

CCN(CC)C(=NC(=O)C1=CC=CC2=CC=CC=C21)[S-].CCN(CC)C(=NC(=O)C1=CC=CC2=CC=CC=C21)[S-].[Cu+2]

DOS

IR

Vibrations