(2R,3S,5R)-5-[2-(Methylsulfonyl)-2,6-Dihydropyrrolo[3,4-C]Pyrazol-5(4H)-Yl]-2-(2,4,5-Trifluorophenyl)Tetrahydro-2H-Pyran-3-Amine

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Formula C17H19F3N4O3S
IUPAC Name (2r,3s,5r)-5-[(5s)-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-ium-3a-id-5-yl]-2-(2,4,5-trifluorophenyl)tetrahydropyran-3-amine
Molecular Mass 416.418 g·mol−1
Heat of Formation -726.1 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 440.89 Å 3
Surface Area 384.18 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
InChIKey MHALHPKVYBFTTL-TYFHEEPYSA-N
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