Geometry & MOs

Info

ID:	39044
PubChem CID:	8138420
Reduced:	FN2O5H19C21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	398.1278
ΔH_f, kcal/mol:	-154.01
Dipole, Da:	2.28
IP(EA), eV:	-9.64(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4-propanoylphenoxy)acetate

Drug info:

PubChemData

Smile

CCC(=O)C1=CC=C(C=C1)OCC(=O)O[C@@H](C)C2=NN=C(O2)C3=CC=C(C=C3)F

DOS

IR

Vibrations