R-Epichlorohydrin-calculated-MP2-3D-balls

Ball-and-stick model of the gauche-II (g-II) conformer of the R enantiomer of the epichlorohydrin molecule, C₃H₅ClO. The g-II conformation is calculated to be the global minimum structure of epichlorohydrin, and predominates in CCl₄ solution (but not in MeOH or DCM, where the g-I conformation is dominant).

Colour code:

  Carbon, C: grey-black

  Hydrogen, H: white

  Chlorine, Cl: green

  Oxygen, O: red

Conformation based on Phys. Chem. Chem. Phys. (2011) 13, 12517-12528 and Chirality (2002) 15, (S1) S143–S149.

Structure calculated with Spartan Student 4.1, using the MP2 level of theory and the 6-311+G** basis set.