Geometry & MOs

Info

ID:

382220

PubChem CID:

134973224

Reduced:

O4C9H13 (2)

Stoich.:

A4B9C13 (2)

Weight, g/mol:

328.152203

ΔHf, kcal/mol:

-362.43

Dipole, Da:

4.49

IP(EA), eV:

 -9.98(0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-3,6-dihydro-2H-pyran-6-ol

Drug info:

PubChemData

Smile

CC(=O)OC1C=CC[C@@H](O1)[C@@H]2[C@H]3[C@@H]([C@@H]4[C@H](O2)OC(O4)(C)C)OC(O3)(C)C

DOS

IR

Vibrations