2-[Benzyl(Methyl)Amino]Ethyl 4-(2-Chloro-6-Fluorophenyl)-2-Methyl-1,4,6,7,8,9-Hexahydrothiepino[3,2-B]Pyridine-3-Carboxylate 5,5-Dioxide
Properties
Property | Value |
---|---|
Formula | C27H30ClFN2O4S |
IUPAC Name | 2-[benzyl(methyl)amino]ethyl (4s)-4-(2-chloro-6-fluoro-phenyl)-2-methyl-5,5-dioxo-1,4,6,7,8,9-hexahydrothiepino[3,2-b]pyridine-3-carboxylate |
Molecular Mass | 533.055 g·mol−1 |
Heat of Formation | -685.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 10.43 ± 1.08 D |
Volume | 603.76 Å 3 |
Surface Area | 474.51 Å 2 |
HOMO Energy | -8.71 ± 0.55 eV |
LUMO Energy | 2.68 ± eV |
Point Group Symmetry | C1 |
InChIKey | AHYGPFWAZFOLSI-VWLOTQADSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H Cl O N S |