“…Generally, however, especially in some important regions of the spectra, the information is quite precise and appropriately sheds light on the conformations of some parts of the molecule. Bilirubin and biliverdin, which are intrinsically achiral, were investigated by VCD either in the presence of chiral complexing agents, such as peptides, cyclodextrin, and metals, ,− or as appropriate chemical derivatives where chiral pendant groups had been chemically inserted. , However, to the best of our knowledge, no VCD study exists for the title metabolites l -stercobilin and d -urobilin. Given that computational analysis is an essential aspect of the VCD spectral interpretation, with these molecules one cannot be content with DFT calculations alone because interaction with the solvent may play a non-negligible role.…”