Geometry & MOs

Info

ID:	136502
PubChem CID:	52051293
Reduced:	ClFO3N4H22C25 (1)
Stoich.:	ABC3D4E22F25 (1)
Weight, g/mol:	496.113603
ΔH_f, kcal/mol:	-33.37
Dipole, Da:	4.98
IP(EA), eV:	-8.96(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-N-(thiophen-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