| Formula |
C28H32ClN5O3 |
| IUPAC Name |
tert-butyl 4-[(11s)-8-chloro-6-[(r)-hydroxy-(3-methylimidazol-3-ium-4-ylium-4-yl)methyl]-11h-benzo[4,5]cyclohepta[1,2-b]pyridin-11-yl]piperazine-1-carboxylate |
| Molecular Mass |
522.038 g·mol−1 |
| Heat of Formation |
-234.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.24 ± 1.08 D |
| Volume |
625.46 Å 3 |
| Surface Area |
474.75 Å 2 |
| HOMO Energy |
-8.90 ± 0.55 eV |
| LUMO Energy |
2.33 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
YZFYPECRJZGSGJ-IZZNHLLZSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
N
O
Cl
|
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