Geometry & MOs

Info

ID:	14566
PubChem CID:	414929
Reduced:	SN4O7H16C20 (1)
Stoich.:	AB4C7D16E20 (1)
Weight, g/mol:	456.07397
ΔH_f, kcal/mol:	-124.64
Dipole, Da:	4.07
IP(EA), eV:	-9.19(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-5-[[2-methoxy-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]benzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O)N=NC3=CC(=C(C=C3)O)C(=O)O

DOS

IR

Vibrations