Geometry & MOs

Info

ID:	122290
PubChem CID:	50801273
Reduced:	ClSN3O4C20H20 (1)
Stoich.:	ABC3D4E20F20 (1)
Weight, g/mol:	419.070655
ΔH_f, kcal/mol:	-72.45
Dipole, Da:	7.83
IP(EA), eV:	-9.78(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCNC(=O)CCC2=NC(=NO2)CS(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations