Geometry & MOs

Info

ID:

10682

PubChem CID:

106615

Reduced:

PS4N5O15H18C22 (1)

Stoich.:

AB4C5D15E18F22 (1)

Weight, g/mol:

750.941987

ΔHf, kcal/mol:

-488.89

Dipole, Da:

9.86

IP(EA), eV:

 -9.19(-2.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-3-[(2,5-disulfophenyl)diazenyl]-6-[(3-phosphonophenyl)diazenyl]naphthalene-2,7-disulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)P(=O)(O)O)N=NC2=C(C=C3C=C(C(=C(C3=C2)N)N=NC4=C(C=CC(=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations