(4-Amino-7-Isopropyl-Pyrrolo[2,3-D]Pyrimidine-1,3-Diium-4A-Id-5-Yl)-[6-[[(3S,4R)-4-(4-Fluorophenyl)Tetrahydrofuran-3-Yl]Amino]Pyrazine-1,4-Diium-2-Yl]Methanone

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Properties Simple | Detailed

Formula C24H24FN7O2
IUPAC Name (4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-5-yl)-[6-[[(3s,4r)-4-(4-fluorophenyl)tetrahydrofuran-3-yl]amino]pyrazine-1,4-diium-2-yl]methanone
Molecular Mass 461.491 g·mol−1
Heat of Formation -62.8 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 539.0 Å 3
Surface Area 394.12 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
InChIKey SLGRHSGZAXQKAI-IEBWSBKVSA-O
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