How the Calculations Work
Each component's molecular formula and molecular weight are calculated from its structure. Auto-balance solves the element (and charge) balance exactly and returns the smallest whole-number coefficients; if the set can't be balanced, a component is usually missing.
For the batch table, you choose a basis reactant and its pure amount. Every other reactant is charged at the equivalents you enter (moles per mole of basis; defaults to the stoichiometric ratio), corrected for purity. The limiting reagent is the one that runs out first. Products are calculated at full conversion of the limiting reagent; the main-product yield % then gives the expected output.
Atom economy = (main product MW × its coefficient) ÷ Σ(reactant MW × coefficient) × 100. The theoretical mass balance compares pure reactants charged against products plus unreacted excess; the two match when the equation is balanced.