Geometry & MOs

Info

ID:	3876
PubChem CID:	10348
Reduced:	O7C12H16 (1)
Stoich.:	A7B12C16 (1)
Weight, g/mol:	272.089603
ΔH_f, kcal/mol:	-278.39
Dipole, Da:	4.01
IP(EA), eV:	-8.93(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1O)O[C@H]2C(C([C@@H](C(O2)CO)O)O)O

DOS

IR

Vibrations