Experimental and Density Functional Theory Characteristics of Ibrutinib, a Bruton’s Kinase Inhibitor Approved for Leukemia Treatment

<div>Fourier transform infrared spectrum of ibrutinib. The spectrum is used to determine the molecule’s structural information, especially the functional groups N-H<sub>2</sub> (at 3599.6, 3478.0 cm<sup>−1</sup>) and C=O (at 1652.4, 1639.19 cm<sup>−1</sup>).</div>

Journal of Spectroscopy

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Figure 3

Figure 3: Experimental and Density Functional Theory Characteristics of Ibrutinib, a Bruton’s Kinase Inhibitor Approved for Leukemia Treatment 