Benzyl (1-Oxido-1,3-Benzothiazol-3(2H)-Yl)Acetate

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Properties Simple | Detailed

Formula C16H15NO3S
IUPAC Name benzyl 2-[(1r,3s)-1-oxo-2h-1,3-benzothiazol-3-yl]acetate
Molecular Mass 301.360 g·mol−1
Heat of Formation -250.5 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 341.91 Å 3
Surface Area 263.7 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
InChIKey NYJPEPLUJURLCQ-NRFANRHFSA-N
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