Geometry & MOs

Info

ID:	82223
PubChem CID:	49855777
Reduced:	O3C7H10 (2)
Stoich.:	A3B7C10 (2)
Weight, g/mol:	298.141638
ΔH_f, kcal/mol:	-249.51
Dipole, Da:	2.18
IP(EA), eV:	-9.44(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations