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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Elements |
H
C
N
O
Cl
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