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. Author manuscript; available in PMC: 2019 Jul 15.
Published in final edited form as: Bioorg Med Chem Lett. 2018 May 23;28(13):2302–2313. doi: 10.1016/j.bmcl.2018.05.024

Table 4.

The relative conformational energies for di(adamantan-1-yl)urea and di(adamantan-1yl)thiourea compared with the conformer of the lowest energy (kcal/mol)

X Conformer A Conformer B Conformer C
X = O 0 6.2 2.8
X = S 0.3 4.2 0