N-[(2R)-1,4-Dioxan-2-Ylmethyl]-N-Methyl-N'-{5-Oxo-3-[1-(4-Piperidinyl)-1H-Pyrazol-4-Yl]-5H-Benzo[4,5]Cyclohepta[1,2-B]Pyridin-7-Yl}Sulfuric Diamide

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Properties Simple | Detailed

Formula C28H32N6O5S
IUPAC Name 9-[[[(2r)-1,4-dioxan-2-yl]methyl-methyl-sulfamoyl]amino]-11-oxo-2-[2-(4-piperidyl)-3h-pyrazol-2-ium-3-ylium-4-yl]benzo[1,2]cyclohepta[3,4-b]pyridine
Molecular Mass 564.656 g·mol−1
Heat of Formation -344.4 ± 16.7 kJ·mol−1
Dipole Moment 3.74 ± 1.08 D
Volume 643.51 Å 3
Surface Area 499.43 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
InChIKey IVWIPVHBADPMSP-XMMPIXPASA-N
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