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Molecular architecture, within molecular spectroscopy and structural chemistry, is the organized structural arrangement of atoms and chemically defined subunits that establishes the constitution and three-dimensional form of a molecule. It encompasses atomic connectivity, bond relationships, stereochemical configuration, molecular geometry, conformational state, relative orientation of structural elements, and the spatial proximities that collectively define a molecular structure ^[1][2]. For conformationally flexible molecules, molecular architecture can be represented by an ensemble of energetically accessible conformers together with their structural relationships and populations ^[1]. Spectroscopic characterization of molecular architecture derives structural constraints from measurable molecular properties such as NMR chemical shifts, scalar couplings, through-space correlations, anisotropic nuclear-spin interactions, and other spectra that encode local atomic environments and spatial organization ^[1][2][3]. Molecular architecture therefore represents the chemically and spatially resolved organization of a molecule at atomic and submolecular scales, including constitutional, stereochemical, geometrical, and conformational information required for a structural description of the molecular entity ^[3].