Geometry & MOs

Info

ID:	396638
PubChem CID:	135028971
Reduced:	O11C20H24 (1)
Stoich.:	A11B20C24 (1)
Weight, g/mol:	500.152991
ΔH_f, kcal/mol:	-455.56
Dipole, Da:	4.82
IP(EA), eV:	-10.45(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6R)-3,4,5-triacetyloxy-6-(1-hydroxy-2,6-dimethoxy-4-oxocyclohexa-2,5-dien-1-yl)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations