Geometry & MOs

Info

ID:	79090
PubChem CID:	49746766
Reduced:	SO3N5C19H19 (1)
Stoich.:	AB3C5D19E19 (1)
Weight, g/mol:	426.94084
ΔH_f, kcal/mol:	26.58
Dipole, Da:	6.18
IP(EA), eV:	-9.78(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC(C3)C4=NC(=NO4)C5=NC=CN=C5

DOS

IR

Vibrations