Geometry & MOs

Info

ID:	54836
PubChem CID:	17389378
Reduced:	NO2H3C4 (3)
Stoich.:	AB2C3D4 (3)
Weight, g/mol:	287.948673
ΔH_f, kcal/mol:	-130.1
Dipole, Da:	7.06
IP(EA), eV:	-10.22(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2,4-dioxo-5-(2-sulfonatosulfanylacetyl)-1H-pyrimidine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])C=C2C(=O)NC(=O)NC2=O

DOS

IR

Vibrations