Geometry & MOs

Info

ID:

409043

PubChem CID:

135081817

Reduced:

S4N7O16H27C40 (1)

Stoich.:

A4B7C16D27E40 (1)

Weight, g/mol:

1348.954262

ΔHf, kcal/mol:

-380.47

Dipole, Da:

19.81

IP(EA), eV:

 -9.03(-2.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

pentasodium;(3E)-7-amino-3-[[(6E)-6-[[(6E)-6-[[(6E)-6-[(8-hydroxy-6-sulfonatonaphthalen-2-yl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate

Drug info:

PubChemData

Smile

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)O)N/N=C\3/C(=CC4=C(C3=O)C=CC(=C4)N/N=C\5/C(=CC6=C(C5=O)C=CC(=C6)N/N=C\7/C(=CC8=C(C7=O)C=CC(=C8)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations