(2S)-2-{3-[({4-[(3S,5S,7S)-Adamantan-1-Yl]Benzoyl}Amino)Methyl]-4-Propoxybenzyl}-3-Phenylpropanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C37H43NO4 |
| IUPAC Name | (2s)-2-[[3-[[[4-(1-adamantyl)benzoyl]amino]methyl]-4-propoxy-phenyl]methyl]-3-phenyl-propanoic acid |
| Molecular Mass | 565.742 g·mol−1 |
| Heat of Formation | -674.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.42 ± 1.08 D |
| Volume | 713.47 Å 3 |
| Surface Area | 544.44 Å 2 |
| HOMO Energy | -8.87 ± 0.55 eV |
| LUMO Energy | -0.32 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XYMQLACGAYNBRX-JIKNKQOGSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |