Geometry & MOs

Info

ID:	5547
PubChem CID:	13311
Reduced:	NaSN2H4O8C10 (1)
Stoich.:	ABC2D4E8F10 (1)
Weight, g/mol:	334.958606
ΔH_f, kcal/mol:	-153.8
Dipole, Da:	4.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.119544
Charge, e:	-1

Chem-info

IUPAC name:

sodium;5,7-dinitro-8-oxidonaphthalene-2-sulfonate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1S(=O)(=O)[O-])C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[O-].[Na+]

DOS

IR

Vibrations