Formula |
C21H26ClF3N4O |
IUPAC Name |
6-[[(3r,4r)-4-[2-[[2-(3-chloro-5-fluoro-phenyl)-2,2-difluoro-ethyl]amino]ethoxy]pyrrolidin-3-yl]methyl]-4-methyl-pyridin-2-amine |
Molecular Mass |
442.906 g·mol−1 |
Heat of Formation |
-663.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.20 ± 1.08 D |
Volume |
515.45 Å 3 |
Surface Area |
443.39 Å 2 |
HOMO Energy |
-8.70 ± 0.55 eV |
LUMO Energy |
2.03 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
WCMZHGFWPJYQKM-KUHUBIRLSA-N |
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Elements |
C
Cl
H
F
O
N
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