Geometry & MOs

Info

ID:	136485
PubChem CID:	52049804
Reduced:	FO4N5C28H28 (1)
Stoich.:	AB4C5D28E28 (1)
Weight, g/mol:	499.238353
ΔH_f, kcal/mol:	-49.38
Dipole, Da:	4.61
IP(EA), eV:	-8.53(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[2-fluoro-4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCCNC(=O)[C@H]2CCCN(C2)C3=C(C=C(C=C3)C4=NOC(=N4)C5=CC=CC=N5)F

DOS

IR

Vibrations