Geometry & MOs

Info

ID:	70131
PubChem CID:	47208065
Reduced:	SN2O4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	294.103814
ΔH_f, kcal/mol:	-122.95
Dipole, Da:	7.1
IP(EA), eV:	-9.26(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-benzylsulfonylethyl)-3-propan-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CO2)CS(=O)(=O)CC(=O)N

DOS

IR

Vibrations