Formula |
C20H17ClF3N5O3 |
IUPAC Name |
2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopiperidine-2,3,4,5,6-pentaid-2-yl)ethyl]amino]-2-oxo-pyrazin-1-ium-3-ylium-1-yl]-n-[(2-fluorophenyl)methyl]acetamide |
Molecular Mass |
467.829 g·mol−1 |
Heat of Formation |
-654.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.47 ± 1.08 D |
Volume |
490.85 Å 3 |
Surface Area |
424.33 Å 2 |
HOMO Energy |
-8.73 ± 0.55 eV |
LUMO Energy |
1.90 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-(6-chloro-3-{[2,2-difluoro-2-(1-oxido-2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluorophenyl)methyl]acetamide
- 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxido-2-pyridin-1-iumyl)ethyl]amino]-2-oxo-1-pyrazinyl]-n-[(2-fluorophenyl)methyl]acetamide
- 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-keto-pyrazin-1-yl]-n-(2-fluorobenzyl)acetamide
- 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxo-pyrazin-1-yl]-n-[(2-fluorophenyl)methyl]acetamide
- 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxo-pyrazin-1-yl]-n-[(2-fluorophenyl)methyl]ethanamide
- cdd
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InChIKey |
ZIGSBBKEPNQXRG-UHFFFAOYSA-N |
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Links |
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Elements |
C
Cl
H
F
O
N
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