| Summary: | Cefdinir is a common antibiotic used to treat an array of bacterial infections of the upper respiratory system. A common side effect observed in patients with high iron diets (typically formula-fed infants and supplemented geriatrics) is a distinctive non-bloody red stool. This has been attributed directly to complexation of iron(III) by cefdinir. This has only been loosely confirmed and the actual structure of the complex has never been identified, though speculations have been proposed. We have sought a hybrid computational-experimental approach to uncovering the actual iron-cefdinir complex. Structure modeling results using Orca are presented alongside results obtained for synthesized complex including magnetic susceptibility, NMR, mass spectrometry and UV-visible spectroscopy.​
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