Methyl 3-Chloro-2-[(5-Ethoxy-7-Fluoro-[1,2,4]Triazolo[1,5-C]Pyrimidin-4-Ium-7-Ylium-2-Yl)Sulfonylamino]Benzoate

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Properties Simple | Detailed

Formula C15H15ClFN5O5S+
IUPAC Name methyl 3-chloro-2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-4-ium-7-ylium-2-yl)sulfonylamino]benzoate
Molecular Mass 431.827 g·mol−1
Heat of Formation -593.6 ± 16.7 kJ·mol−1
Dipole Moment 8.02 ± 1.08 D
Volume 434.27 Å 3
Surface Area 361.97 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 1.60 ± eV
Point Group Symmetry C1
InChIKey KMHFPORKGSMNLG-UHFFFAOYSA-O
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