Geometry & MOs

Info

ID:	67700
PubChem CID:	46507000
Reduced:	SO2N4H10C12 (1)
Stoich.:	AB2C4D10E12 (1)
Weight, g/mol:	288.068097
ΔH_f, kcal/mol:	28.77
Dipole, Da:	6.41
IP(EA), eV:	-8.47(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-ethoxyphenyl)-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C=CN3C(=NNC3=S)C2=O

DOS

IR

Vibrations