(6S)-2-(3-Chloro-4-Fluorobenzyl)-8-Ethyl-10-Hydroxy-6-Methyl-4-(5-Methyl-1,1-Dioxido-1,2,5-Thiadiazolidin-2-Yl)-7,8-Dihydropyrazino[1',2':1,5]Pyrrolo[2,3-D]Pyridazine-1,9(2H,6H)-Dione

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Properties Simple | Detailed

Formula C22H24ClFN6O5S
IUPAC Name (13s)-5-[(3-chloro-4-fluoro-phenyl)methyl]-11-ethyl-8-hydroxy-13-methyl-3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione
Molecular Mass 538.980 g·mol−1
Heat of Formation -710.3 ± 16.7 kJ·mol−1
Dipole Moment 9.51 ± 1.08 D
Volume 568.74 Å 3
Surface Area 452.26 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
InChIKey DXTGTNDZQFNYNI-LBPRGKRZSA-N
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