Geometry & MOs

Info

ID:	79074
PubChem CID:	49746710
Reduced:	SO3N5C11H13 (1)
Stoich.:	AB3C5D11E13 (1)
Weight, g/mol:	309.089561
ΔH_f, kcal/mol:	8.82
Dipole, Da:	2.61
IP(EA), eV:	-10.26(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-propylsulfonylazetidin-3-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations