Geometry & MOs

Info

ID:	79081
PubChem CID:	49746723
Reduced:	S2O3N5H11C13 (1)
Stoich.:	A2B3C5D11E13 (1)
Weight, g/mol:	344.069159
ΔH_f, kcal/mol:	55.8
Dipole, Da:	3.72
IP(EA), eV:	-9.6(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CN1S(=O)(=O)C2=CC=CS2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations