Geometry & MOs

Info

ID:	227840
PubChem CID:	87562666
Reduced:	N3O5C27H27 (1)
Stoich.:	A3B5C27D27 (1)
Weight, g/mol:	210.069222
ΔH_f, kcal/mol:	-47.48
Dipole, Da:	3.17
IP(EA), eV:	-9.08(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-fluoro-1-oxo-3-phenylpropan-2-yl] acetate

Drug info:

PubChemData

Smile

COCCOC1=C(C=C(C=N1)C2=CC=C(C=C2)C#CC3=CN=CC=C3)C(=O)NOC4CCCCO4

DOS

IR

Vibrations