Geometry & MOs

Info

ID:	122284
PubChem CID:	50801267
Reduced:	SN3O4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	403.100205
ΔH_f, kcal/mol:	-104.5
Dipole, Da:	3.04
IP(EA), eV:	-10.05(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)CCC1=NC(=NO1)CS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations