Geometry & MOs

Info

ID:	8671
PubChem CID:	80131
Reduced:	O7C13H18 (1)
Stoich.:	A7B13C18 (1)
Weight, g/mol:	286.105253
ΔH_f, kcal/mol:	-286.55
Dipole, Da:	4.47
IP(EA), eV:	-8.84(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

DOS

IR

Vibrations