Geometry & MOs

Info

ID:	16232
PubChem CID:	462372
Reduced:	NNa2S2O10H11C17 (1)
Stoich.:	AB2C2D10E11F17 (1)
Weight, g/mol:	498.961976
ΔH_f, kcal/mol:	-433.41
Dipole, Da:	6.83
IP(EA), eV:	-8.33(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;5,6-dihydroxy-7,12-dioxo-4a,12b-dihydronaphtho[2,3-f]quinoline-5,6-disulfonate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(C(C4C3C=CC=N4)(O)S(=O)(=O)[O-])(O)S(=O)(=O)[O-].[Na+].[Na+]

DOS

IR

Vibrations