[5-Methyl-3-Oxo-4-(4,5,7-Trifluoro-1,3-Benzothiazol-2-Yl)-3,4-Dihydro-2H-1,4-Benzothiazin-2-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C18H11F3N2O3S2
IUPAC Name 2-[(2s)-5-methyl-3-oxo-4-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)-1,4-benzothiazin-2-yl]acetic acid
Molecular Mass 424.417 g·mol−1
Heat of Formation -779.6 ± 16.7 kJ·mol−1
Dipole Moment 2.47 ± 1.08 D
Volume 424.37 Å 3
Surface Area 361.82 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 1.59 ± eV
Point Group Symmetry C1
InChIKey ZVSDXQXCVBUOHA-NSHDSACASA-N
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