Calculate the bond-dissociation energies and entropy of a molecule

[Timi0904]

TL;DR Summary

If we know the molecular structure of a complex chemical (organic), can we calculate the dissociation energy for each and every bond somehow? Also, can we calculate the standard etropy of the same molecule? These information would be needed to calculate Gibbs free energy for reactions of a molecule and I cannot find a usable estimate for these anywhere they are only available for simple molecules... Does anyone know a formula for these? Or a software which can calculate them?

If we know the molecular structure of a complex chemical (organic), can we calculate the dissociation energy for each and every bond somehow? Also, can we calculate the standard etropy of the same molecule? These information would be needed to calculate Gibbs free energy for reactions of a molecule and I cannot find a usable estimate for these anywhere they are only available for simple molecules... Does anyone know a formula for these? Or a software which can calculate them?

 

[DrDu]

You can do so using Quantum Chemistry programs like Gaussian:
https://gaussian.com/