Geometry & MOs

Info

ID:	79087
PubChem CID:	49746752
Reduced:	ClSO3N5H14C16 (1)
Stoich.:	ABC3D5E14F16 (1)
Weight, g/mol:	307.07391
ΔH_f, kcal/mol:	28.3
Dipole, Da:	4.05
IP(EA), eV:	-9.84(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)S(=O)(=O)N2CC(C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations