Geometry & MOs

Info

ID:	122286
PubChem CID:	50801269
Reduced:	FSN3O4H18C19 (1)
Stoich.:	ABC3D4E18F19 (1)
Weight, g/mol:	403.100205
ΔH_f, kcal/mol:	-116.9
Dipole, Da:	3.46
IP(EA), eV:	-8.52(-0.92)
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-(3-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CCC2=NC(=NO2)CS(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations