Geometry & MOs

Info

ID:

17257

PubChem CID:

490536

Reduced:

O2C15H23 (2)

Stoich.:

A2B15C23 (2)

Weight, g/mol:

470.33961

ΔHf, kcal/mol:

-173.26

Dipole, Da:

2.78

IP(EA), eV:

 -9.56(0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,5R,6R,9R,10R,13S,15S)-5-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-yl] acetate

Drug info:

PubChemData

Smile

C[C@H](C=C[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@]24C=C[C@@]5([C@@]3(CC[C@@H](C5)OC(=O)C)C)OO4)C

DOS

IR

Vibrations