Geometry & MOs

Info

ID:	123050
PubChem CID:	50831458
Reduced:	ClSN4O4C22H23 (1)
Stoich.:	ABC4D4E22F23 (1)
Weight, g/mol:	450.145868
ΔH_f, kcal/mol:	-66.94
Dipole, Da:	5.16
IP(EA), eV:	-9.74(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations