Re: conformational isomers

[lnl-: at :-novo.dk (Leif Norskov)]

 Dongchul Lim (lim-: at :-rani.chem.yale.edu) asked
   > Is there a simple way of testing if two given conformational isomers
   > are equivalent?
   > E.g., how can you know the gauche (+) conformer of n-butane is
   > equivalent to the gauche (-) conformer?
   > My idea is [ to superimpose the conformers ]...
 If speed is a problem (and it could well be - consider for example
 the matching of the protons in butane) then it might be advantageous
 to first compare the moments of inertia, which of course are invariant
 to atom labelling and rotation/translation, before proceeding
 with superpositioning.
 Cheers,
 Leif Norskov
 Novo Nordisk A/S
 Copenhagen
 Denmark
 lnl-: at :-novo.dk