(1-{[(4R,6S)-8-Chloro-6-(2,3-Dimethoxyphenyl)-4H,6H-Pyrrolo[1,2-A][4,1]Benzoxazepin-4-Yl]Acetyl}-4-Piperidinyl)Acetic Acid
Properties
| Property | Value |
|---|---|
| Formula | C29H31ClN2O6 |
| IUPAC Name | 2-[1-[2-[(4r,6s)-8-chloro-6-(2,3-dimethoxyphenyl)-4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl]-4-piperidyl]acetic acid |
| Molecular Mass | 539.019 g·mol−1 |
| Heat of Formation | -799.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.51 ± 1.08 D |
| Volume | 624.6 Å 3 |
| Surface Area | 503.83 Å 2 |
| HOMO Energy | -8.54 ± 0.55 eV |
| LUMO Energy | 2.39 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MSSQOQPKGAMUSY-LEAFIULHSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C Cl O N |