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Deformation density Δρ1 shows charge flow between NOCVs of 3 and associated contributions to the total orbital energy (ΔE1 in kJ/mol) for α- and β-electrons, respectively. Eigenvalues ν1 quantify the amount of transferred electron density (red: charge depletion, blue: charge accumulation). Iso-values are chosen for visual clarity. Bonding character of Δρ1 is a polar shared-electron N–S bond with contributions from the (a) sulfonyl fragment and from the (b) amine fragment.
