Geometry & MOs

Info

ID:	136473
PubChem CID:	52048064
Reduced:	FN4O4C27H27 (1)
Stoich.:	AB4C4D27E27 (1)
Weight, g/mol:	454.183875
ΔH_f, kcal/mol:	-44.07
Dipole, Da:	5.33
IP(EA), eV:	-8.59(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C=CCN(CC=C)C(=O)[C@H]1CCCN(C1)C2=C(C=C(C=C2)C3=NOC(=N3)C4=CC5=C(C=C4)OCO5)F

DOS

IR

Vibrations