Geometry & MOs

Info

ID:

215218

PubChem CID:

85084380

Reduced:

O11C43H68 (1)

Stoich.:

A11B43C68 (1)

Weight, g/mol:

762.216912

ΔHf, kcal/mol:

-550.62

Dipole, Da:

7.59

IP(EA), eV:

 -9.18(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,12,15-triacetyloxy-1,11-dihydroxy-10,14,17,17-tetramethyl-9-(trifluoromethylsulfonyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Drug info:

PubChemData

Smile

CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)O)OC)C)OCC4=CC=CC=C4)C)C5C(CC(O5)C6C(CC(C(O6)(CO)O)C)C)C

DOS

IR

Vibrations