Geometry & MOs

Info

ID:	15452
PubChem CID:	442226
Reduced:	O5C17H22 (1)
Stoich.:	A5B17C22 (1)
Weight, g/mol:	306.146724
ΔH_f, kcal/mol:	-196.6
Dipole, Da:	8.22
IP(EA), eV:	-9.74(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,4R,9R,11aR)-4-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-9-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC[C@H](C(=C[C@@H]2[C@@H]([C@@H](C1)O)C(=C)C(=O)O2)C)OC(=O)C

DOS

IR

Vibrations