| Formula |
C20H18ClNO7 |
| IUPAC Name |
(2s)-2-[[(3s)-5-chloro-8-hydroxy-3-(hydroxymethyl)-1-oxo-isochromane-7-carbonyl]amino]-3-phenyl-propanoic acid |
| Molecular Mass |
419.812 g·mol−1 |
| Heat of Formation |
-1163.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.47 ± 1.08 D |
| Volume |
452.4 Å 3 |
| Surface Area |
366.1 Å 2 |
| HOMO Energy |
-9.68 ± 0.55 eV |
| LUMO Energy |
-1.85 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
GHTAWZGQTQGHOQ-NHYWBVRUSA-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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