Geometry & MOs

Info

ID:	48499
PubChem CID:	10588655
Reduced:	O2C8H11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	280.131074
ΔH_f, kcal/mol:	-171.84
Dipole, Da:	2.47
IP(EA), eV:	-9.64(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aS,6aS,8R,9aS,9bS)-8,9a-dihydroxy-3-(hydroxymethyl)-6,9-dimethylidene-3,3a,4,5,6a,7,8,9b-octahydroazuleno[4,5-b]furan-2-one

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2[C@H](C[C@H](O1)OCC3=CC=CC=C3)OC(O2)(C)C

DOS

IR

Vibrations