(5S)-1-(4-Fluoro-3-Methylbenzyl)-4-Hydroxy-5-(2-Methyl-2-Propanyl)-3-[8-(Methylsulfonyl)-1,1-Dioxido-6,7,8,9-Tetrahydro[1,2]Thiazolo[4,5-H]Isoquinolin-3-Yl]-1,5-Dihydro-2H-Pyrrol-2-One

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Properties Simple | Detailed

Formula C27H30FN3O6S2
IUPAC Name (2s)-2-tert-butyl-1-[(4-fluoro-3-methyl-phenyl)methyl]-3-hydroxy-4-[(8s)-8-methylsulfonyl-1,1-dioxo-7,9-dihydro-6h-isothiazolo[4,5-h]isoquinolin-3-yl]-2h-pyrrol-5-one
Molecular Mass 575.672 g·mol−1
Heat of Formation -954.4 ± 16.7 kJ·mol−1
Dipole Moment 6.16 ± 1.08 D
Volume 632.99 Å 3
Surface Area 506.81 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
InChIKey YRWZNTIWOPXYQZ-RUZDIDTESA-N
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