Geometry & MOs

Info

ID:	407806
PubChem CID:	135080561
Reduced:	Cl2O2C9H14 (1)
Stoich.:	A2B2C9D14 (1)
Weight, g/mol:	224.084872
ΔH_f, kcal/mol:	-122.59
Dipole, Da:	2.13
IP(EA), eV:	-10.83(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-7-fluoro-4-hydroxy-3-propan-2-yl-3,4-dihydroisochromen-1-one

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](CC/C=C/C(=O)OC)Cl)Cl

DOS

IR

Vibrations