N-(3-Fluoro-4-{[2-({3-[(Methylsulfonyl)Methyl]Phenyl}Amino)-4-Pyrimidinyl]Oxy}Phenyl)-N'-(4-Fluorophenyl)-1,1-Cyclopropanedicarboxamide

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Properties Simple | Detailed

Formula C29H25F2N5O5S
IUPAC Name n1'-[3-fluoro-4-[2-[3-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]oxy-phenyl]-n1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Molecular Mass 593.601 g·mol−1
Heat of Formation -663.6 ± 16.7 kJ·mol−1
Dipole Moment 5.33 ± 1.08 D
Volume 655.14 Å 3
Surface Area 573.77 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey SEERCQIVLBZZJL-UHFFFAOYSA-N
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