Geometry & MOs

Info

ID:

15457

PubChem CID:

442239

Reduced:

O3C10H12 (2)

Stoich.:

A3B10C12 (2)

Weight, g/mol:

360.157288

ΔHf, kcal/mol:

-206.0

Dipole, Da:

4.03

IP(EA), eV:

 -9.9(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S,6R,7R,12R,14S)-9-(hydroxymethyl)-14-methyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-7-yl] 2-methylbut-2-enoate

Drug info:

PubChemData

Smile

CC=C(C)C(=O)O[C@@H]1CC(=C2C[C@@H]3[C@]([C@@H]2[C@@H]4[C@@H]1C(=C)C(=O)O4)(O3)C)CO

DOS

IR

Vibrations