Geometry & MOs

Info

ID:

11036

PubChem CID:

110159

Reduced:

CuN3S3O10H19C23 (1)

Stoich.:

AB3C3D10E19F23 (1)

Weight, g/mol:

655.952855

ΔHf, kcal/mol:

-180.67

Dipole, Da:

8.03

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.674657

Charge, e:

 0

Chem-info

IUPAC name:

copper;6-[ethenylsulfonyl(methyl)amino]-4-hydroxy-3-[(1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

CN(C1=CC2=C(C(=C(C=C2C=C1)S(=O)(=O)O)N=NC3=C(C4=C(C=C3)C(=CC=C4)S(=O)(=O)O)O)O)S(=O)(=O)C=C.[Cu]

DOS

IR

Vibrations