Geometry & MOs

Info

ID:	396639
PubChem CID:	135028973
Reduced:	O13C22H28 (1)
Stoich.:	A13B22C28 (1)
Weight, g/mol:	484.158076
ΔH_f, kcal/mol:	-531.91
Dipole, Da:	8.87
IP(EA), eV:	-9.85(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6S)-3,4,5-triacetyloxy-6-(4-hydroxy-2,6-dimethoxyphenyl)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C(C([C@@H](O1)C2(C(=CC(=O)C=C2OC)OC)O)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations