Ceritinib

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Formula C28H36ClN5O3S
IUPAC Name 5-chloro-n2-[2-isopropoxy-5-methyl-4-(4-piperidyl)phenyl]-n4-(2-isopropylsulfonylphenyl)pyrimidine-2,4-diamine
Molecular Mass 558.135 g·mol−1
Heat of Formation -352.3 ± 16.7 kJ·mol−1
Dipole Moment 5.66 ± 1.08 D
Volume 671.03 Å 3
Surface Area 525.98 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
InChIKey VERWOWGGCGHDQE-UHFFFAOYSA-N
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Elements C Cl H O N S