N-[2-({(3S,4S)-1-[Trans-4-(1,3-Benzodioxol-5-Yl)-4-Hydroxycyclohexyl]-4-Ethoxy-3-Pyrrolidinyl}Amino)-2-Oxoethyl]-3-(Trifluoromethyl)Benzamide
Properties
| Property | Value |
|---|---|
| Formula | C29H34F3N3O6 |
| IUPAC Name | n-[2-[[(1r,3s,4s)-1-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-cyclohexyl]-4-ethoxy-pyrrolidin-3-yl]amino]-2-oxo-ethyl]-3-(trifluoromethyl)benzamide |
| Molecular Mass | 577.592 g·mol−1 |
| Heat of Formation | -1478.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.54 ± 1.08 D |
| Volume | 664.25 Å 3 |
| Surface Area | 562.88 Å 2 |
| HOMO Energy | -8.74 ± 0.55 eV |
| LUMO Energy | -0.98 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MZEOSVPWMSEFPW-UTWBDPIXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |