6-Methyl-8-(Methylsulfonyl)-1,3,4,6-Tetrahydro-2H-5,1-Benzothiazocine
Properties
Property | Value |
---|---|
Formula | C12H17NO2S2 |
IUPAC Name | (6r)-6-methyl-8-methylsulfonyl-2,3,4,6-tetrahydro-1h-5,1-benzothiazocine |
Molecular Mass | 271.399 g·mol−1 |
Heat of Formation | -284.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.68 ± 1.08 D |
Volume | 309.72 Å 3 |
Surface Area | 266.23 Å 2 |
HOMO Energy | -8.71 ± 0.55 eV |
LUMO Energy | -0.32 ± eV |
Point Group Symmetry | C1 |
InChIKey | RYAGULUYOOGXOZ-SECBINFHSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |