Dimethyl {4-[2-(6-Benzoyl-2-Oxo-1,3-Benzothiazol-3(2H)-Yl)Ethoxy]Benzyl}Malonate

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Properties Simple | Detailed

Formula C28H25NO7S
IUPAC Name dimethyl 2-[[4-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanedioate
Molecular Mass 519.566 g·mol−1
Heat of Formation -919.7 ± 16.7 kJ·mol−1
Dipole Moment 1.85 ± 1.08 D
Volume 592.41 Å 3
Surface Area 408.0 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry C1
InChIKey NSMJEHGOMXSLCW-UHFFFAOYSA-N
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