| Formula |
C20H19F3N4O2S |
| IUPAC Name |
2,6-difluoro-n-[(1s)-1-[5-[2-(4-fluorophenoxy)ethylsulfanyl]-4-methyl-2-aza-4-azonia-1-azanidacyclopenta-2,4-dien-3-yl]ethyl]benzamide |
| Molecular Mass |
436.451 g·mol−1 |
| Heat of Formation |
-545.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.54 ± 1.08 D |
| Volume |
486.3 Å 3 |
| Surface Area |
423.65 Å 2 |
| HOMO Energy |
-8.82 ± 0.55 eV |
| LUMO Energy |
-1.33 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
OUIZIUPLGXONEI-LBPRGKRZSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
F
H
O
N
S
|
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