Geometry & MOs

Info

ID:	136499
PubChem CID:	52051290
Reduced:	ClF2O2N4H23C27 (1)
Stoich.:	AB2C2D4E23F27 (1)
Weight, g/mol:	508.14776
ΔH_f, kcal/mol:	-46.92
Dipole, Da:	4.48
IP(EA), eV:	-8.57(-1.3)
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-[(4-fluorophenyl)methyl]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=C(C=C5)F

DOS

IR

Vibrations