Geometry & MOs

Info

ID:	7439
PubChem CID:	72694
Reduced:	S2N4O7H20C24 (1)
Stoich.:	A2B4C7D20E24 (1)
Weight, g/mol:	540.077341
ΔH_f, kcal/mol:	-162.93
Dipole, Da:	13.43
IP(EA), eV:	-8.96(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)N)N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations