Geometry & MOs

Info

ID:	36069
PubChem CID:	7980722
Reduced:	FO3H15C20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	322.100523
ΔH_f, kcal/mol:	-102.6
Dipole, Da:	3.41
IP(EA), eV:	-9.36(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CC=C(C=C1)F)OC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations