Geometry & MOs

Info

ID:	17255
PubChem CID:	490531
Reduced:	O5C17H22 (1)
Stoich.:	A5B17C22 (1)
Weight, g/mol:	306.146724
ΔH_f, kcal/mol:	-219.24
Dipole, Da:	7.49
IP(EA), eV:	-10.24(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,5S,5aR,8aS,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-4,5,6,7,9,9a-hexahydro-3aH-azuleno[6,7-b]furan-5a-yl] acetate

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H]2[C@H](C[C@]3([C@]1(CCC3=O)OC(=O)C)C)C(=C)C(=O)O2

DOS

IR

Vibrations