Geometry & MOs

Info

ID:	15465
PubChem CID:	442285
Reduced:	O5C20H26 (1)
Stoich.:	A5B20C26 (1)
Weight, g/mol:	346.178024
ΔH_f, kcal/mol:	-188.79
Dipole, Da:	8.28
IP(EA), eV:	-9.56(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC=C(C)C(=O)O[C@H]1CC(=CC[C@@H](C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)O)C

DOS

IR

Vibrations