5-Heptyl-6-Hydroxy-1,3-Benzothiazole-4,7-Dione

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Formula C14H17NO3S
IUPAC Name 5-heptyl-6-hydroxy-1,3-benzothiazole-4,7-dione
Molecular Mass 279.355 g·mol−1
Heat of Formation -347.8 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 334.23 Å 3
Surface Area 311.36 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy 0.71 ± eV
Point Group Symmetry C1
InChIKey CAPIRLKYURUNFL-UHFFFAOYSA-N
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