Geometry & MOs

Info

ID:	79086
PubChem CID:	49746750
Reduced:	SO4N5H15C17 (1)
Stoich.:	AB4C5D15E17 (1)
Weight, g/mol:	391.050588
ΔH_f, kcal/mol:	6.39
Dipole, Da:	1.16
IP(EA), eV:	-10.34(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC(C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations