Geometry & MOs

Info

ID:	69998
PubChem CID:	47206582
Reduced:	ClSN2O3C13H15 (1)
Stoich.:	ABC2D3E13F15 (1)
Weight, g/mol:	296.083078
ΔH_f, kcal/mol:	-58.5
Dipole, Da:	4.5
IP(EA), eV:	-9.57(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)S(=O)(=O)C(C)C2=CC=CC=C2Cl

DOS

IR

Vibrations