Geometry & MOs

Info

ID:	79083
PubChem CID:	49746731
Reduced:	SO3N5H15C16 (1)
Stoich.:	AB3C5D15E16 (1)
Weight, g/mol:	387.100125
ΔH_f, kcal/mol:	41.13
Dipole, Da:	2.94
IP(EA), eV:	-9.71(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CN1S(=O)(=O)CC2=CC=CC=C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations