Geometry & MOs

Info

ID:	15829
PubChem CID:	453190
Reduced:	FO6C13H17 (1)
Stoich.:	AB6C13D17 (1)
Weight, g/mol:	288.100916
ΔH_f, kcal/mol:	-287.05
Dipole, Da:	4.27
IP(EA), eV:	-9.25(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5S,6R)-2-[2-(fluoromethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CF)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

DOS

IR

Vibrations