Omarigliptin

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Formula C17H20F2N4O3S
IUPAC Name (2r,3s,5r)-2-(2,5-difluorophenyl)-5-[(5r)-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-ium-1-id-5-yl]tetrahydropyran-3-amine
Molecular Mass 398.428 g·mol−1
Heat of Formation -534.0 ± 16.7 kJ·mol−1
Dipole Moment 1.10 ± 1.08 D
Volume 429.64 Å 3
Surface Area 378.19 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
InChIKey MKMPWKUAHLTIBJ-ISTRZQFTSA-N
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