Geometry & MOs

Info

ID:	353765
PubChem CID:	127285342
Reduced:	SO2N4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	394.16166
ΔH_f, kcal/mol:	-2.27
Dipole, Da:	2.34
IP(EA), eV:	-9.23(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C2=CC=CS2)N3CCC(CC3)N4CCCC4=O

DOS

IR

Vibrations