Geometry & MOs

Info

ID:

381634

PubChem CID:

134972430

Reduced:

SO9C16H24 (1)

Stoich.:

AB9C16D24 (1)

Weight, g/mol:

590.221071

ΔHf, kcal/mol:

-423.67

Dipole, Da:

0.55

IP(EA), eV:

 -8.95(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-acetyloxy-2-[(2S,5R)-3,4-diacetyloxy-5-[[(6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]oxolan-2-yl]ethyl] acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations