Formula |
C22H25FN6O3S |
IUPAC Name |
(2r)-2-[5-[6-amino-5-[(1r)-1-[2-(1,3-dihydrotriazol-2-yl)-5-fluoro-phenyl]ethoxy]-3-pyridyl]-4-methyl-thiazol-2-yl]propane-1,2-diol |
Molecular Mass |
472.536 g·mol−1 |
Heat of Formation |
-175.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.03 ± 1.08 D |
Volume |
539.94 Å 3 |
Surface Area |
448.14 Å 2 |
HOMO Energy |
-8.34 ± 0.55 eV |
LUMO Energy |
-0.67 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MXETZPYUZKZIMB-MCMMXHMISA-N |
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Elements |
C
F
H
O
N
S
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