N-{6-[2-(Methylsulfanyl)-4-Pyrimidinyl]-1,3-Benzothiazol-2-Yl}Acetamide

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Formula C14H12N4OS2
IUPAC Name n-[6-(2-methylsulfanylpyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide
Molecular Mass 316.401 g·mol−1
Heat of Formation 189.2 ± 16.7 kJ·mol−1
Dipole Moment 2.57 ± 1.08 D
Volume 346.63 Å 3
Surface Area 325.55 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 1.76 ± eV
Point Group Symmetry Cs
InChIKey UJBQBHAEDABZIB-UHFFFAOYSA-N
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