N-[(6S)-2-(4-Fluorobenzyl)-10-Hydroxy-8-Isopropyl-6-Methyl-1,9-Dioxo-1,2,6,7,8,9-Hexahydropyrazino[1',2':1,5]Pyrrolo[2,3-D]Pyridazin-4-Yl]-N-Methylmethanesulfonamide

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Properties Simple | Detailed

Formula C22H26FN5O5S
IUPAC Name n-[(13s)-5-[(4-fluorophenyl)methyl]-8-hydroxy-11-isopropyl-13-methyl-6,10-dioxo-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-trien-3-yl]-n-methyl-methanesulfonamide
Molecular Mass 491.536 g·mol−1
Heat of Formation -776.6 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 551.21 Å 3
Surface Area 426.73 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry C1
InChIKey ITPCGSTZGSTIFB-ZDUSSCGKSA-N
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