Geometry & MOs

Info

ID:	9398
PubChem CID:	89049
Reduced:	O3C6H8 (2)
Stoich.:	A3B6C8 (2)
Weight, g/mol:	256.094688
ΔH_f, kcal/mol:	-236.78
Dipole, Da:	2.57
IP(EA), eV:	-9.28(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations