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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Elements |
C
F
H
O
N
S
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