Geometry & MOs

Info

ID:

10981

PubChem CID:

109659

Reduced:

S3N8O10H28C38 (1)

Stoich.:

A3B8C10D28E38 (1)

Weight, g/mol:

852.109053

ΔHf, kcal/mol:

-90.57

Dipole, Da:

8.0

IP(EA), eV:

 -8.41(-2.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-[(4-anilino-5-sulfonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-4-imino-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC=C(C=C4)NN=C5C(=CC6=C(C5=N)C(=O)C(=NNC7=CC=CC=C7)C(=C6)S(=O)(=O)O)S(=O)(=O)O)C=CC=C3S(=O)(=O)O

DOS

IR

Vibrations