Geometry & MOs

Info

ID:	136498
PubChem CID:	52051081
Reduced:	F2O2N5C27H33 (1)
Stoich.:	A2B2C5D27E33 (1)
Weight, g/mol:	508.14776
ΔH_f, kcal/mol:	-80.58
Dipole, Da:	4.68
IP(EA), eV:	-8.45(-1.34)
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-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCCNC(=O)[C@H]1CCCN(C1)C2=C(C=C(C=C2)C3=NOC(=N3)C4=CC=C(C=C4)F)F

DOS

IR

Vibrations