Formula |
C23H28BrFN2O2S |
IUPAC Name |
[(1r,5s)-3-[5-(aminomethyl)-2-fluoro-phenyl]-8-azabicyclo[3.2.1]octan-8-yl]-(4-bromo-3-methyl-5-propoxy-2-thienyl)methanone |
Molecular Mass |
495.448 g·mol−1 |
Heat of Formation |
-414.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.37 ± 1.08 D |
Volume |
534.73 Å 3 |
Surface Area |
423.14 Å 2 |
HOMO Energy |
-9.08 ± 0.55 eV |
LUMO Energy |
2.14 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SZKGHXMOYDKXPX-OSYLJGHBSA-N |
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Links |
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Elements |
C
F
H
O
N
S
Br
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