Geometry & MOs

Info

ID:

147894

PubChem CID:

53787553

Reduced:

PO4C19H20 (2)

Stoich.:

AB4C19D20 (2)

Weight, g/mol:

645.065791

ΔHf, kcal/mol:

-380.14

Dipole, Da:

4.68

IP(EA), eV:

 -9.13(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-6-[(4-ethenylsulfinyloxyphenyl)diazenyl]-7-methyl-3-[(2-methyl-5-sulfophenyl)hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)COP(=O)(OCC2=CC=CC(=C2)C)OC3=CC=CC=C3OP(=O)(OCC4=CC=CC(=C4)C)OCC5=CC=CC(=C5)C

DOS

IR

Vibrations