Geometry & MOs

Info

ID:	16093
PubChem CID:	459781
Reduced:	NS2O8H13C20 (1)
Stoich.:	AB2C8D13E20 (1)
Weight, g/mol:	459.008259
ΔH_f, kcal/mol:	-234.52
Dipole, Da:	8.12
IP(EA), eV:	-9.76(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-5,7-disulfobenzo[h]quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C4C=CC=C(C4=CC(=C3C(=C2)C(=O)O)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations