| Formula |
C27H28ClF3N6O2 |
| IUPAC Name |
n-[2-[4-[3-chloro-4-[3-(trifluoromethyl)phenoxy]anilino]-2h-pyrrolo[3,2-d]pyrimidin-5-ium-2-ylium-5-yl]ethyl]-4-(dimethylamino)butanamide |
| Molecular Mass |
560.998 g·mol−1 |
| Heat of Formation |
-631.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
12.94 ± 1.08 D |
| Volume |
629.68 Å 3 |
| Surface Area |
538.89 Å 2 |
| HOMO Energy |
-8.50 ± 0.55 eV |
| LUMO Energy |
-0.68 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
NYVVVTXEFVDYBD-UHFFFAOYSA-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
Cl
O
N
|
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