Geometry & MOs

Info

ID:	4249
PubChem CID:	11042
Reduced:	INNaSH7O7C10 (1)
Stoich.:	ABCDE7F7G10 (1)
Weight, g/mol:	434.88856
ΔH_f, kcal/mol:	-316.72
Dipole, Da:	10.06
IP(EA), eV:	-8.93(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;hydrogen carbonate;8-hydroxy-7-iodoquinoline-5-sulfonic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C(C=C2S(=O)(=O)O)I)O)N=C1.C(=O)(O)[O-].[Na+]

DOS

IR

Vibrations