Geometry & MOs

Info

ID:	136477
PubChem CID:	52048454
Reduced:	FN4O4C28H35 (1)
Stoich.:	AB4C4D28E35 (1)
Weight, g/mol:	456.172832
ΔH_f, kcal/mol:	-124.77
Dipole, Da:	5.59
IP(EA), eV:	-8.3(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CC(=C(C=C2)N3CCC[C@H](C3)C(=O)NCCC4=CC(=C(C=C4)OCC)OCC)F

DOS

IR

Vibrations