Geometry & MOs

Info

ID:	15921
PubChem CID:	455230
Reduced:	OSH4N4C6 (1)
Stoich.:	ABC4D4E6 (1)
Weight, g/mol:	180.010582
ΔH_f, kcal/mol:	89.09
Dipole, Da:	1.17
IP(EA), eV:	-9.88(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyrazin-2-yl-1,2,4-oxadiazole-5-thiol

Drug info:

PubChemData

Smile

C1=CN=C(C=N1)C2=NOC(=N2)S

DOS

IR

Vibrations