N-[2-[5-[5-[[(2R,6S)-2,6-Dimethyl-4-Piperidyl]Sulfonyl]-2-Ethoxy-Phenyl]-1-Methyl-3-Propyl-Pyrazolo[4,3-D]Pyrimidin-1-Ium-5-Ylium-7-Yl]Oxythiazol-5-Yl]-N-Methyl-Nitrous Amide

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Properties Simple | Detailed

Formula C19H17N8O5S2+
IUPAC Name n-[2-[5-[5-[[(2r,6s)-2,6-dimethyl-4-piperidyl]sulfonyl]-2-ethoxy-phenyl]-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-1-ium-5-ylium-7-yl]oxythiazol-5-yl]-n-methyl-nitrous amide
Molecular Mass 501.519 g·mol−1
Heat of Formation 2978.9 ± 16.7 kJ·mol−1
Dipole Moment 8.32 ± 1.08 D
Volume 507.73 Å 3
Surface Area 406.17 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -3.42 ± eV
Point Group Symmetry C1
InChIKey BNIFBESUYAAZKT-IZZQQSIFSA-N
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