Geometry & MOs

Info

ID:	11151
PubChem CID:	111497
Reduced:	ClS2N3O7H14C17 (1)
Stoich.:	AB2C3D7E14F17 (1)
Weight, g/mol:	470.99617
ΔH_f, kcal/mol:	-202.88
Dipole, Da:	9.07
IP(EA), eV:	-8.82(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-8-[(5-chloro-4-methyl-2-sulfophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)N=NC2=C(C=CC3=C2C=C(C=C3O)S(=O)(=O)O)N)S(=O)(=O)O

DOS

IR

Vibrations