N-{3-[(4Ar,7As)-1-(4-Fluorobenzyl)-4-Hydroxy-2-Oxo-2,4A,5,6,7,7A-Hexahydro-1H-Cyclopenta[B]Pyridin-3-Yl]-1,1-Dioxido-2H-1,2,4-Benzothiadiazin-7-Yl}Methanesulfonamide

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Properties Simple | Detailed

Formula C23H23FN4O6S2
IUPAC Name n-[(3z)-3-[(4ar,7as)-1-[(4-fluorophenyl)methyl]-2,4-dioxo-5,6,7,7a-tetrahydro-4ah-cyclopenta[b]pyridin-3-ylidene]-1,1-dioxo-4h-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide
Molecular Mass 534.580 g·mol−1
Heat of Formation -1007.0 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 559.67 Å 3
Surface Area 466.19 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
InChIKey PAEBVIJMNXTTAT-AEFFLSMTSA-N
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