| Formula |
C27H26Cl2FN5O4 |
| IUPAC Name |
ethyl 2-[[2-chloro-4-[5-[5-[[(1s)-1-(3-chloro-4-fluoro-phenyl)-2-hydroxy-ethyl]carbamoyl]-2h-pyrrol-1-ium-2-ylium-3-yl]pyrazol-1-ium-5-ylium-4-yl]phenyl]methylamino]acetate |
| Molecular Mass |
574.431 g·mol−1 |
| Heat of Formation |
-528.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
7.32 ± 1.08 D |
| Volume |
642.08 Å 3 |
| Surface Area |
554.85 Å 2 |
| HOMO Energy |
-8.86 ± 0.55 eV |
| LUMO Energy |
-0.57 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
VVRLXUNPTACSJC-XMMPIXPASA-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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