Geometry & MOs

Info

ID:	70002
PubChem CID:	47206613
Reduced:	NSF3O3C11H12 (1)
Stoich.:	ABC3D3E11F12 (1)
Weight, g/mol:	266.072513
ΔH_f, kcal/mol:	-273.13
Dipole, Da:	3.92
IP(EA), eV:	-9.94(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N)S(=O)(=O)CC1=CC=CC=C1C(F)(F)F

DOS

IR

Vibrations