4-Methyl-N-[1-(2-Methyl-2-Propanyl)-3-{[(2S)-2-(1-Pyrrolidinylmethyl)-1-Pyrrolidinyl]Carbonyl}-1H-Pyrazolo[3,4-D][1,3]Thiazol-5-Yl]Benzenecarboximidic Acid

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Properties Simple | Detailed

Formula C26H34N6O2S
IUPAC Name n-[1-tert-butyl-3-[(2s)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]pyrazolo[3,4-d]thiazol-1-ium-2-id-5-yl]-4-methyl-benzamide
Molecular Mass 494.652 g·mol−1
Heat of Formation -4.8 ± 16.7 kJ·mol−1
Dipole Moment 5.72 ± 1.08 D
Volume 607.56 Å 3
Surface Area 516.25 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 2.39 ± eV
Point Group Symmetry C1
InChIKey GJBQMIZKUFMWPV-IBGZPJMESA-N
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