Geometry & MOs

Info

ID:

7353

PubChem CID:

72233

Reduced:

BrNaN2S2H6O7C11 (2)

Stoich.:

ABC2D2E6F7G11 (2)

Weight, g/mol:

889.73745

ΔHf, kcal/mol:

-490.46

Dipole, Da:

13.56

IP(EA), eV:

 -8.79(-2.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;3,6-bis[(4-bromo-2-sulfophenyl)hydrazinylidene]-4,5-dioxonaphthalene-2,7-disulfonate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)S(=O)(=O)O)NN=C2C(=CC3=C(C2=O)C(=O)C(=NNC4=C(C=C(C=C4)Br)S(=O)(=O)O)C(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

DOS

IR

Vibrations