Geometry & MOs

Info

ID:	137399
PubChem CID:	52204147
Reduced:	SCl2O3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	362.049191
ΔH_f, kcal/mol:	-99.44
Dipole, Da:	7.76
IP(EA), eV:	-9.33(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)CS(=O)(=O)CC2=CC(=CC=C2)Cl

DOS

IR

Vibrations