(2Ar)-2,2,2A-Trimethylazeto[2,1-B][1,3]Benzothiazol-1-One
Properties
Property | Value |
---|---|
Formula | C12H13NOS |
IUPAC Name | (2ar)-2,2,2a-trimethylazeto[2,1-b][1,3]benzothiazol-1-one |
Molecular Mass | 219.303 g·mol−1 |
Heat of Formation | -5.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.96 ± 1.08 D |
Volume | 262.1 Å 3 |
Surface Area | 232.08 Å 2 |
HOMO Energy | -8.51 ± 0.55 eV |
LUMO Energy | 2.50 ± eV |
Point Group Symmetry | C1 |
InChIKey | PWABAONYSKGZIK-GFCCVEGCSA-N |
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Elements | H S C O N |