Formula |
C22H23FN6O2S |
IUPAC Name |
2-[5-[6-amino-5-[(1r)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-3-yl]-4-methyl-1,3-thiazol-2-yl]propan-2-ol |
Molecular Mass |
454.520 g·mol−1 |
Heat of Formation |
-4.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.58 ± 1.08 D |
Volume |
526.97 Å 3 |
Surface Area |
442.93 Å 2 |
HOMO Energy |
-8.41 ± 0.55 eV |
LUMO Energy |
2.01 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZRJMPUZTCOUGJH-CYBMUJFWSA-N |
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Elements |
C
F
H
O
N
S
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