Geometry & MOs

Info

ID:	216906
PubChem CID:	85086952
Reduced:	OSC4N4H5 (2)
Stoich.:	ABC4D4E5 (2)
Weight, g/mol:	313.085818
ΔH_f, kcal/mol:	137.31
Dipole, Da:	3.68
IP(EA), eV:	-8.99(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(hydroxymethyl)-5-(3-methyl-5-methylidene-2-oxo-4-sulfanylidenepyrimidin-1-ium-1-yl)oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

CN1C(=NN=O)SC(=N1)CCC2=NN(C(=NN=O)S2)C

DOS

IR

Vibrations