(6S)-2-[(3-Chloro-4-Fluoro-Phenyl)Methyl]-8-Ethyl-10-Hydroxy-6-Methyl-4-[(2S,5R)-5-Methyl-1,1-Dioxo-1,2,5-Thiadiazolidin-2-Yl]-6,7-Dihydropyrazino[5,6]Pyrrolo[1,3-B]Pyridazine-3,4,4A,9A,10,10A-Hexaide-1,9-Dione

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Formula C22H30ClFN6O5S
IUPAC Name (6s)-2-[(3-chloro-4-fluoro-phenyl)methyl]-8-ethyl-10-hydroxy-6-methyl-4-[(2s,5r)-5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-6,7-dihydropyrazino[5,6]pyrrolo[1,3-b]pyridazine-3,4,4a,9a,10,10a-hexaide-1,9-dione
Molecular Mass 545.027 g·mol−1
Heat of Formation -713.2 ± 16.7 kJ·mol−1
Dipole Moment 12.70 ± 1.08 D
Volume 553.13 Å 3
Surface Area 452.3 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
InChIKey KOGHSDRKTMSVNJ-VTXSXGHNSA-O
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