Geometry & MOs

Info

ID:	12066
PubChem CID:	128733
Reduced:	O2C11H15 (2)
Stoich.:	A2B11C15 (2)
Weight, g/mol:	358.214409
ΔH_f, kcal/mol:	-164.89
Dipole, Da:	3.5
IP(EA), eV:	-8.96(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,12S,15aS)-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate

Drug info:

PubChemData

Smile

CC1=CCCC(=C[C@H](CC(=C[C@H]2[C@H](CC1)C(=C)C(=O)O2)C)OC(=O)C)C

DOS

IR

Vibrations