(A) The structure was optimized by DFT under vacuum conditions using the ωB97X-D function, 6-311G(d,p) for C,H, 6-311+G(d,p) for N,S, and Def2TZV for Br. (B) The electrostatic potentials of N-methylthioamide and tetrabromomethane were calculated on a 0.0004 au isodensity surface (ωB97X-D/Def2TZV) (red = negative electrostatic potential, blue = positive electrostatic potential).