Geometry & MOs

Info

ID:	17254
PubChem CID:	490529
Reduced:	O5C17H22 (1)
Stoich.:	A5B17C22 (1)
Weight, g/mol:	306.146724
ΔH_f, kcal/mol:	-217.62
Dipole, Da:	7.63
IP(EA), eV:	-10.02(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S,6S,6aS,9aR,9bR)-6,9a-dimethyl-3-methylidene-2,9-dioxo-3a,4,5,6,6a,7,8,9b-octahydroazuleno[4,5-b]furan-4-yl] acetate

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](C2[C@H]([C@]3([C@H]1CCC3=O)C)OC(=O)C2=C)OC(=O)C

DOS

IR

Vibrations