4-Chloro-2-Fluoro-N-(2-Fluorophenyl)-5-[(8Ar)-Hexahydropyrrolo[1,2-A]Pyrazin-2(1H)-Ylcarbonyl]Benzenesulfonamide

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Formula C20H20ClF2N3O3S
IUPAC Name 5-[(5r,8ar)-3,4,6,7,8,8a-hexahydro-1h-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4-chloro-2-fluoro-n-(2-fluorophenyl)benzenesulfonamide
Molecular Mass 455.906 g·mol−1
Heat of Formation -706.1 ± 16.7 kJ·mol−1
Dipole Moment 6.53 ± 1.08 D
Volume 490.42 Å 3
Surface Area 363.36 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 1.51 ± eV
Point Group Symmetry C1
InChIKey AGPIHNZOZNKRGT-CYBMUJFWSA-N
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