Geometry & MOs

Info

ID:	8741
PubChem CID:	80869
Reduced:	Cl2S2N3O9H17C24 (1)
Stoich.:	A2B2C3D9E17F24 (1)
Weight, g/mol:	624.978327
ΔH_f, kcal/mol:	-248.91
Dipole, Da:	9.04
IP(EA), eV:	-8.89(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,4-dichlorobenzoyl)amino]-5-hydroxy-6-[(2-methoxyphenyl)diazenyl]naphthalene-1,7-disulfonic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N=NC2=C(C3=C(C=CC(=C3C=C2S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=C(C=C(C=C4)Cl)Cl)O

DOS

IR

Vibrations