Geometry & MOs

Info

ID:

9741

PubChem CID:

92916

Reduced:

Na4S4N5O12H15C26 (1)

Stoich.:

A4B4C5D12E15F26 (1)

Weight, g/mol:

808.919083

ΔHf, kcal/mol:

-516.12

Dipole, Da:

28.58

IP(EA), eV:

 -8.17(-1.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tetrasodium;6-amino-4-hydroxy-3-[[7-sulfinato-4-[(4-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2,7-disulfonate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N=NC2=C3C=CC(=CC3=C(C=C2)N=NC4=C(C5=CC(=C(C=C5C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])N)O)S(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

DOS

IR

Vibrations