4-[(4-Bromo-2-{[(3R,5S)-3,5-Dimethyl-1-Piperidinyl]Carbonyl}Phenyl)Amino]-4-Oxobutanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C18H23BrN2O4 |
| IUPAC Name | 4-[4-bromo-2-[(3s,5r)-3,5-dimethylpiperidine-1-carbonyl]anilino]-4-oxo-butanoic acid |
| Molecular Mass | 411.290 g·mol−1 |
| Heat of Formation | -776.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.80 ± 1.08 D |
| Volume | 441.74 Å 3 |
| Surface Area | 382.36 Å 2 |
| HOMO Energy | -9.09 ± 0.55 eV |
| LUMO Energy | -1.08 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JSVSGWHGYIDZFX-TXEJJXNPSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C Br O N |