Bethoxazin
Properties
Property | Value |
---|---|
Formula | C11H9NO2S2 |
IUPAC Name | (4s)-3-(benzothiophen-2-yl)-5,6-dihydro-1,4,2-oxathiazine 4-oxide |
Molecular Mass | 251.325 g·mol−1 |
Heat of Formation | 83.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.83 ± 1.08 D |
Volume | 264.91 Å 3 |
Surface Area | 247.07 Å 2 |
HOMO Energy | -8.60 ± 0.55 eV |
LUMO Energy | -0.87 ± eV |
Point Group Symmetry | C1 |
InChIKey | NRAYWXLNSHEHQO-INIZCTEOSA-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 |