Trans-4-{4-[7-Amino-2-(1,2,3-Benzothiadiazol-7-Yl)-3-Chlorofuro[2,3-C]Pyridin-4-Yl]-1H-Pyrazol-1-Yl}Cyclohexanol

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Properties Simple | Detailed

Formula C22H19ClN6O2S
IUPAC Name 4-[4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chloro-furo[2,3-c]pyridin-4-yl]-3h-pyrazol-2-ium-3-ylium-2-yl]cyclohexanol
Molecular Mass 466.943 g·mol−1
Heat of Formation 274.6 ± 16.7 kJ·mol−1
Dipole Moment 2.08 ± 1.08 D
Volume 508.3 Å 3
Surface Area 427.84 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy 1.52 ± eV
Point Group Symmetry C1
InChIKey IXXBWYJJOYSCNJ-JOCQHMNTSA-N
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