Geometry & MOs

Info

ID:	122289
PubChem CID:	50801272
Reduced:	ClSN3O4C16H20 (1)
Stoich.:	ABC3D4E16F20 (1)
Weight, g/mol:	433.086305
ΔH_f, kcal/mol:	-112.32
Dipole, Da:	2.12
IP(EA), eV:	-10.07(-0.95)
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-(2-phenylethyl)propanamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CCC1=NC(=NO1)CS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations