Geometry & MOs

Info

ID:	79075
PubChem CID:	49746711
Reduced:	SO3N5C12H15 (1)
Stoich.:	AB3C5D12E15 (1)
Weight, g/mol:	357.089561
ΔH_f, kcal/mol:	4.41
Dipole, Da:	3.34
IP(EA), eV:	-10.25(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(4-methylphenyl)sulfonylazetidin-3-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CC(C1)C2=NC(=NO2)C3=NC=CN=C3

DOS

IR

Vibrations