2-({3-[1-(3-Methylbutyl)-2,4-Dioxo-1,2,3,4-Tetrahydro-3-Quinolinyl]-1,1-Dioxido-3,4-Dihydro-2H-1,2,4-Benzothiadiazin-7-Yl}Oxy)Acetamide

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Properties Simple | Detailed

Formula C23H26N4O6S
IUPAC Name 2-[[(3r)-3-[(3s)-1-isopentyl-2,4-dioxo-3-quinolyl]-1,1-dioxo-3,4-dihydro-2h-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide
Molecular Mass 486.541 g·mol−1
Heat of Formation -790.7 ± 16.7 kJ·mol−1
Dipole Moment 12.57 ± 1.08 D
Volume 548.63 Å 3
Surface Area 453.01 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry C1
InChIKey BIRTVLIYTDXUDJ-IFMALSPDSA-N
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