5-[5-[(2,4-Dimethylthiazol-3-Ium-5-Id-5-Yl)Methyl]-1-Oxonia-3-Aza-4-Azanidacyclopenta-2,5-Dien-2-Yl]-1-Ethyl-N-Tetrahydropyran-4-Yl-Pyrazolo[3,4-B]Pyridin-7-Ium-5-Id-4-Amine

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Properties Simple | Detailed

Formula C21H25N7O2S
IUPAC Name 5-[5-[(2,4-dimethylthiazol-3-ium-5-id-5-yl)methyl]-1-oxonia-3-aza-4-azanidacyclopenta-2,5-dien-2-yl]-1-ethyl-n-tetrahydropyran-4-yl-pyrazolo[3,4-b]pyridin-7-ium-5-id-4-amine
Molecular Mass 439.534 g·mol−1
Heat of Formation 150.9 ± 16.7 kJ·mol−1
Dipole Moment 1.42 ± 1.08 D
Volume 508.16 Å 3
Surface Area 431.67 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
InChIKey GJDXUCDIBCRHDJ-UHFFFAOYSA-O
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