Geometry & MOs

Info

ID:	70008
PubChem CID:	47206637
Reduced:	ClFNSO3C13H17 (1)
Stoich.:	ABCDE3F13G17 (1)
Weight, g/mol:	252.056863
ΔH_f, kcal/mol:	-187.16
Dipole, Da:	4.13
IP(EA), eV:	-9.66(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(benzylsulfonylmethyl)-3-methyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CS(=O)(=O)CC1=C(C=C(C=C1)F)Cl

DOS

IR

Vibrations