Geometry & MOs

Info

ID:	136501
PubChem CID:	52051292
Reduced:	ClFO3N4H22C25 (1)
Stoich.:	ABC3D4E22F25 (1)
Weight, g/mol:	480.136446
ΔH_f, kcal/mol:	-31.56
Dipole, Da:	3.45
IP(EA), eV:	-8.57(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=C(C=C(C=C2)C3=NOC(=N3)C4=CC(=CC=C4)Cl)F)C(=O)NCC5=CC=CO5

DOS

IR

Vibrations