Geometry & MOs

Info

ID:

9716

PubChem CID:

92566

Reduced:

SO7N9H27C33 (1)

Stoich.:

AB7C9D27E33 (1)

Weight, g/mol:

693.175415

ΔHf, kcal/mol:

-45.96

Dipole, Da:

15.05

IP(EA), eV:

 -8.54(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[4-[[4-[[2,6-diamino-3-methyl-5-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1N)N=NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N=NC4=CC(=C(C=C4)O)C(=O)O)N)N=NC5=CC=C(C=C5)S(=O)(=O)O

DOS

IR

Vibrations