Geometry & MOs

Info

ID:	56771
PubChem CID:	22389611
Reduced:	NaN3O5H9C12 (1)
Stoich.:	AB3C5D9E12 (1)
Weight, g/mol:	329.990909
ΔH_f, kcal/mol:	-76.54
Dipole, Da:	16.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.877304
Charge, e:	1

Chem-info

IUPAC name:

sodium;3-(4-nitro-2,1,3-benzoxadiazol-7-yl)-6-sulfanylidene-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1CC(=O)C(C(=O)C1)C2=CC=C(C3=NON=C23)[N+](=O)[O-].[Na+]

DOS

IR

Vibrations