Geometry & MOs

Info

ID:

381631

PubChem CID:

134972424

Reduced:

O10H26C31 (1)

Stoich.:

A10B26C31 (1)

Weight, g/mol:

590.221071

ΔHf, kcal/mol:

-324.01

Dipole, Da:

5.91

IP(EA), eV:

 -9.06(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,6S)-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

COC1=CC=CC2=C1C3(C4=C5C(=CC(=C4CO3)OC)C(=O)C6=C(C5=O)C(=CC=C6)O)OC27CCC(O7)CC(=O)OC

DOS

IR

Vibrations