Geometry & MOs

Info

ID:	79082
PubChem CID:	49746724
Reduced:	SO3N6H12C14 (1)
Stoich.:	AB3C6D12E14 (1)
Weight, g/mol:	357.089561
ΔH_f, kcal/mol:	57.72
Dipole, Da:	2.85
IP(EA), eV:	-10.29(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CN1S(=O)(=O)C2=CN=CC=C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations