Geometry & MOs

Info

ID:	123049
PubChem CID:	50831457
Reduced:	FSN4O4C22H23 (1)
Stoich.:	ABC4D4E22F23 (1)
Weight, g/mol:	474.112854
ΔH_f, kcal/mol:	-106.78
Dipole, Da:	6.44
IP(EA), eV:	-9.8(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-oxoethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC(=NO2)C3CCN(CC3)C(=O)CNS(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations