Geometry & MOs

Info

ID:

381565

PubChem CID:

134972341

Reduced:

SO9C16H24 (1)

Stoich.:

AB9C16D24 (1)

Weight, g/mol:

590.221071

ΔHf, kcal/mol:

-425.75

Dipole, Da:

0.88

IP(EA), eV:

 -9.07(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,6R)-3,4,5-triacetyloxy-6-[[(6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCS[C@H]1C(C([C@H](C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations