| Formula |
C22H17Cl2FN4O2 |
| IUPAC Name |
n-[(1s)-1-(3-chloro-4-fluoro-phenyl)-2-hydroxy-ethyl]-4-[4-(3-chlorophenyl)pyrazol-1-ium-2-id-3-yl]pyrrole-2-carboxamide |
| Molecular Mass |
459.300 g·mol−1 |
| Heat of Formation |
-147.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
1.81 ± 1.08 D |
| Volume |
500.33 Å 3 |
| Surface Area |
434.09 Å 2 |
| HOMO Energy |
-8.91 ± 0.55 eV |
| LUMO Energy |
2.44 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
YMUYGRBBEDYUOP-HXUWFJFHSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
Cl
H
F
O
N
|
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