Geometry & MOs

Info

ID:	39043
PubChem CID:	8138419
Reduced:	ClSO2N3H18C20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	398.1278
ΔH_f, kcal/mol:	-3.01
Dipole, Da:	4.13
IP(EA), eV:	-9.1(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C2=CC=C(C=C2)Cl)SCC(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations