5-Chloro-4-Thioxo-3,6,7,8-Tetrahydro-1H-Quinoline-2,3,4A,5,6,7,8,8A-Octaide-2-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C10H15ClNO2S+ |
IUPAC Name | (2s,4as,5r,8as)-5-chloro-4-thioxo-2,3,4a,5,6,7,8,8a-octahydro-1h-quinolin-1-ium-2-carboxylic acid |
Molecular Mass | 248.750 g·mol−1 |
Heat of Formation | -124.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.01 ± 1.08 D |
Volume | 243.8 Å 3 |
Surface Area | 228.57 Å 2 |
HOMO Energy | -8.41 ± 0.55 eV |
LUMO Energy | 1.12 ± eV |
Point Group Symmetry | Cs |
InChIKey | NGUIQIXNBHBCQW-UHFFFAOYSA-O |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C Cl H O N S |