N-{6-[2-(Methylsulfanyl)-4-Pyrimidinyl]-1,3-Benzothiazol-2-Yl}Acetamide
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
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Elements | H C S O N |