Isopropyl N-[4-Ethoxy-3-(1-Methyl-7-Oxo-3-Propyl-6H-Pyrazolo[4,3-D]Pyrimidin-4-Ium-7A-Id-5-Yl)Phenyl]Sulfonylcarbamate

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Properties Simple | Detailed

Formula C21H28N5O6S
IUPAC Name isopropyl n-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6h-pyrazolo[4,3-d]pyrimidin-4-ium-7a-id-5-yl)phenyl]sulfonylcarbamate
Molecular Mass 478.542 g·mol−1
Heat of Formation -859.0 ± 16.7 kJ·mol−1
Dipole Moment 6.38 ± 1.08 D
Volume 543.98 Å 3
Surface Area 447.12 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
InChIKey NFMHLBKIWYTWPM-UHFFFAOYSA-O
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