Geometry & MOs

Info

ID:	79076
PubChem CID:	49746713
Reduced:	SO3N5H15C16 (1)
Stoich.:	AB3C5D15E16 (1)
Weight, g/mol:	388.058989
ΔH_f, kcal/mol:	37.77
Dipole, Da:	6.71
IP(EA), eV:	-10.03(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations