[5-Methyl-3-Oxo-4-(4,5,7-Trifluoro-1,3-Benzothiazol-2-Yl)-3,4-Dihydro-2H-1,4-Benzothiazin-2-Yl]Acetic Acid
Properties
Property | Value |
---|---|
Formula | C18H11F3N2O3S2 |
IUPAC Name | 2-[(2s)-5-methyl-3-oxo-4-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)-1,4-benzothiazin-2-yl]acetic acid |
Molecular Mass | 424.417 g·mol−1 |
Heat of Formation | -779.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.47 ± 1.08 D |
Volume | 424.37 Å 3 |
Surface Area | 361.82 Å 2 |
HOMO Energy | -9.09 ± 0.55 eV |
LUMO Energy | 1.59 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZVSDXQXCVBUOHA-NSHDSACASA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H O N S |