Geometry & MOs

Info

ID:	11040
PubChem CID:	110175
Reduced:	S3N5O9H17C22 (1)
Stoich.:	A3B5C9D17E22 (1)
Weight, g/mol:	591.018841
ΔH_f, kcal/mol:	-180.98
Dipole, Da:	9.5
IP(EA), eV:	-8.69(-2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-[(4-aminophenyl)diazenyl]phenyl]diazenyl]naphthalene-1,3,5-trisulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)N=NC3=CC4=C(C=C(C=C4S(=O)(=O)O)S(=O)(=O)O)C(=C3)S(=O)(=O)O

DOS

IR

Vibrations