Geometry & MOs

Info

ID:

125086

PubChem CID:

50909567

Reduced:

CuSN4C15H16 (1)

Stoich.:

ABC4D15E16 (1)

Weight, g/mol:

1121.806329

ΔHf, kcal/mol:

153.31

Dipole, Da:

5.25

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.921640

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[4-[2-[4-[(1-azanidyl-4,8-disulfonaphthalen-2-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]-4,8-disulfonaphthalen-1-yl]azanide;copper(1+)

Drug info:

PubChemData

Smile

CN(C)C(=S)NN=C(C1=CC=CC=C1)C2=CC=CC=N2.[Cu+2]

DOS

IR

Vibrations