Geometry & MOs

Info

ID:	69997
PubChem CID:	47206565
Reduced:	ClNSO3C13H16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	314.049191
ΔH_f, kcal/mol:	-104.41
Dipole, Da:	6.77
IP(EA), eV:	-9.43(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[1-(2-chlorophenyl)ethylsulfonyl]ethyl]-3-methyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC1)S(=O)(=O)CC2=CC(=CC=C2)Cl

DOS

IR

Vibrations