4-({(2R,5S)-4-[(R)-[4-(Diethylcarbamoyl)Phenyl](3-Hydroxyphenyl)Methyl]-2,5-Dimethyl-1-Piperazinyl}Methyl)Benzoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C32H39N3O4 |
| IUPAC Name | 4-[[(1s,2r,4s,5s)-4-[(r)-[4-(diethylcarbamoyl)phenyl]-(3-hydroxyphenyl)methyl]-2,5-dimethyl-piperazin-1-yl]methyl]benzoic acid |
| Molecular Mass | 529.670 g·mol−1 |
| Heat of Formation | -520.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.05 ± 1.08 D |
| Volume | 670.52 Å 3 |
| Surface Area | 526.14 Å 2 |
| HOMO Energy | -9.00 ± 0.55 eV |
| LUMO Energy | 2.36 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DDSCNRYOJYAXOK-DUELTEGESA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |