Geometry & MOs

Info

ID:	70110
PubChem CID:	47207776
Reduced:	SF3N3O4C8H10 (1)
Stoich.:	AB3C3D4E8F10 (1)
Weight, g/mol:	252.056863
ΔH_f, kcal/mol:	-275.81
Dipole, Da:	6.35
IP(EA), eV:	-10.92(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methylphenyl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CS(=O)(=O)CC(=O)NCC(F)(F)F

DOS

IR

Vibrations