Geometry & MOs

Info

ID:

17075

PubChem CID:

483220

Reduced:

O5C15H22 (1)

Stoich.:

A5B15C22 (1)

Weight, g/mol:

282.146724

ΔHf, kcal/mol:

-234.62

Dipole, Da:

2.49

IP(EA), eV:

 -10.4(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aR,4S,5aR,6R,9S,9aS,9bR)-4,6-dihydroxy-9-(hydroxymethyl)-5a-methyl-3-methylidene-4,5,6,7,8,9,9a,9b-octahydro-3aH-benzo[g][1]benzofuran-2-one

Drug info:

PubChemData

Smile

C[C@@]12C[C@@H]([C@@H]3[C@@H]([C@H]1[C@H](CC[C@H]2O)CO)OC(=O)C3=C)O

DOS

IR

Vibrations