Geometry & MOs

Info

ID:

10636

PubChem CID:

105824

Reduced:

CuN3S4O15H19C21 (1)

Stoich.:

AB3C4D15E19F21 (1)

Weight, g/mol:

743.899499

ΔHf, kcal/mol:

-447.74

Dipole, Da:

7.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.182984

Charge, e:

 0

Chem-info

IUPAC name:

copper;2-diazonio-4-(2-sulfooxyethylsulfonyl)phenolate;4-oxido-7-(3-sulfopropanoylamino)naphthalene-2-sulfonate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C(C=C2C=C1NC(=O)CCS(=O)(=O)O)S(=O)(=O)[O-])[O-].C1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)O)[N+]#N)[O-].[Cu+2]

DOS

IR

Vibrations