3-(1-Methyl-7-Oxo-3-Propyl-4H-Pyrazolo[4,3-D]Pyrimidin-6-Ium-5-Yl)-N-[2-[(1S,2R)-1-Methylpyrrolidin-2-Yl]Ethyl]-4-Propoxy-Benzenesulfonamide

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Properties Simple | Detailed

Formula C25H36N6O4S
IUPAC Name 3-(1-methyl-7-oxo-3-propyl-4h-pyrazolo[4,3-d]pyrimidin-6-ium-5-yl)-n-[2-[(1s,2r)-1-methylpyrrolidin-2-yl]ethyl]-4-propoxy-benzenesulfonamide
Molecular Mass 516.656 g·mol−1
Heat of Formation -448.8 ± 16.7 kJ·mol−1
Dipole Moment 10.03 ± 1.08 D
Volume 620.73 Å 3
Surface Area 495.77 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
InChIKey AEVHFCBPVARBNS-DHCZOYPBSA-O
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