Geometry & MOs

Info

ID:	4047
PubChem CID:	10636
Reduced:	NaSH5O5C10 (1)
Stoich.:	ABC5D5E10 (1)
Weight, g/mol:	259.975539
ΔH_f, kcal/mol:	-173.1
Dipole, Da:	8.49
IP(EA), eV:	-9.56(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;3,4-dioxonaphthalene-1-sulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations