Geometry & MOs

Info

ID:	393323
PubChem CID:	135020125
Reduced:	O5C15H22 (1)
Stoich.:	A5B15C22 (1)
Weight, g/mol:	398.212465
ΔH_f, kcal/mol:	-179.68
Dipole, Da:	12.61
IP(EA), eV:	-6.81(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2aR,4S,4aS,6R,8aS,8bS)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-4a-methyl-7-oxo-1,2a,3,4,5,6,8,8a-octahydronaphtho[2,1-b]oxet-8b-yl] acetate

Drug info:

PubChemData

Smile

C[C@]12CC(=C(C[C@@H]1CCCC23OCCO3)O)C(=O)OC

DOS

IR

Vibrations