{3-[(4,5,7-Trifluoro-1,3-Benzothiazol-2-Yl)Methyl]-1H-Pyrrolo[2,3-B]Pyridin-1-Yl}Acetic Acid

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Formula C17H12F3N3O2S
IUPAC Name 2-[3-[(4,5,7-trifluoro-1,3-benzothiazol-3-ium-7a-id-2-yl)methyl]pyrrolo[2,3-b]pyridin-7-ium-3a-id-1-yl]acetic acid
Molecular Mass 379.356 g·mol−1
Heat of Formation -509.0 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 387.93 Å 3
Surface Area 345.32 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 1.59 ± eV
Point Group Symmetry C1
InChIKey IEVFQDJUDLCOQY-UHFFFAOYSA-O
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