(2S)-N-(5,5-Dioxido-10-Oxo-4,10-Dihydrothieno[3,2-C][1]Benzothiepin-9-Yl)-3,3,3-Trifluoro-2-Hydroxy-2-Methylpropanamide

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Formula C16H12F3NO5S2
IUPAC Name (2s)-3,3,3-trifluoro-2-hydroxy-2-methyl-n-(5,5,10-trioxo-4h-thieno[3,2-c][1]benzothiepin-9-yl)propanamide
Molecular Mass 419.395 g·mol−1
Heat of Formation -1279.4 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 410.01 Å 3
Surface Area 334.81 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
InChIKey NAFSYPCVPLWHFY-HNNXBMFYSA-N
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