Geometry & MOs

Info

ID:	143021
PubChem CID:	53133499
Reduced:	FS2N4O4C19H19 (1)
Stoich.:	AB2C4D4E19F19 (1)
Weight, g/mol:	419.070655
ΔH_f, kcal/mol:	-114.1
Dipole, Da:	7.78
IP(EA), eV:	-9.12(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-chlorophenyl)sulfonylethyl]-N-[(2-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C2=NN=C(O2)C(=O)N3CCCCC3)S(=O)(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations