Geometry & MOs

Info

ID:

85298

PubChem CID:

49873558

Reduced:

NaCu2N4S4O14H18C34 (1)

Stoich.:

AB2C4D4E14F18G34 (1)

Weight, g/mol:

1062.12943

ΔHf, kcal/mol:

-151.71

Dipole, Da:

33.4

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 3.048397

Charge, e:

 0

Chem-info

IUPAC name:

1-benzyl-4H-imidazol-4-ide;gold(1+)

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])[O-])S(=O)(=O)[O-])C=CC4=C(C=C(C=C4)N=NC5=C(C=CC6=C5C=CC(=C6)S(=O)(=O)[O-])[O-])S(=O)(=O)[O-].[Na+].[Cu+2].[Cu+2]

DOS

IR

Vibrations