(16R)-19-Amino-13-Fluoro-4,8,16-Trimethyl-9-Oxo-17-Oxa-4,5,8,20-Tetraazatetracyclo[16.3.1.0~2,6~.0~10,15~]Docosa-1(22),2,5,10,12,14,18,20-Octaene-3-Carbonitrile

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Properties Simple | Detailed

Formula C21H19FN6O2
IUPAC Name lorlatinib
Molecular Mass 406.413 g·mol−1
Heat of Formation 77.4 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 458.13 Å 3
Surface Area 364.32 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
InChIKey IIXWYSCJSQVBQM-LLVKDONJSA-N
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