Sheffield ChemPuter
The Sheffield Chemputer is a site that does a variety of calculations including: isotope patterns, element percentages, reaction yields, oxidation states (for transition metal complexes), electron accounting (for metal complexes), VSEPR shape and classification using the CBC method. At the initial point of this post (April 29, 2014) parts of the site are still under development, but it seems to be off to a good start.