| Formula |
C21H23F3N6O2++ |
| IUPAC Name |
2-[3-[[2,2-difluoro-2-(1h-pyridin-1-ium-2-id-2-yl)ethyl]amino]-6-methyl-2-oxo-pyrazin-4-ium-6-id-1-yl]-n-[(5-fluoro-4-methyl-3h-pyridin-1-ium-3-id-6-yl)methyl]acetamide |
| Molecular Mass |
448.442 g·mol−1 |
| Heat of Formation |
-589.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
9.63 ± 1.08 D |
| Volume |
502.47 Å 3 |
| Surface Area |
427.61 Å 2 |
| HOMO Energy |
-7.46 ± 0.55 eV |
| LUMO Energy |
-0.63 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (2,2-difluoro-2-pyridin-1-ium-2-yl-ethyl)-[4-[2-[(3-fluoro-4-methyl-2-pyridyl)methylamino]-2-keto-ethyl]-3-keto-5-methyl-1h-pyrazin-2-ylidene]ammonium
- (2,2-difluoro-2-pyridin-1-ium-2-yl-ethyl)-[4-[2-[(3-fluoro-4-methyl-2-pyridyl)methylamino]-2-oxo-ethyl]-5-methyl-3-oxo-1h-pyrazin-2-ylidene]ammonium
- (2,2-difluoro-2-pyridin-1-ium-2-yl-ethyl)-[4-[2-[(3-fluoro-4-methyl-pyridin-2-yl)methylamino]-2-oxo-ethyl]-5-methyl-3-oxo-1h-pyrazin-2-ylidene]azanium
- 2-(6-chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluoro-3-methyl-6-pyridinyl)methyl]acetamide
- [2,2-difluoro-2-(2-pyridin-1-iumyl)ethyl]-[4-[2-[(3-fluoro-4-methyl-2-pyridyl)methylamino]-2-oxoethyl]-5-methyl-3-oxo-1h-pyrazin-2-ylidene]ammonium
- cdb
|
| InChIKey |
WOYBPRBUPLYTPY-UHFFFAOYSA-P |
| QR Code |
Generate QR Code |
| Links |
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
N
O
F
|
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