N~1~-Butyl-5-Cyano-N~3~-{(2S,3R)-1-(3,5-Difluorophenyl)-3-Hydroxy-4-[(3-Methoxybenzyl)Amino]-2-Butanyl}-N~1~-Methyl-1H-Indole-1,3-Dicarboxamide
Properties
| Property | Value |
|---|---|
| Formula | C34H37F2N5O4 |
| IUPAC Name | n1-butyl-5-cyano-n3-[(1s,2r)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-n1-methyl-indol-1-ium-5-ide-1,3-dicarboxamide |
| Molecular Mass | 617.685 g·mol−1 |
| Heat of Formation | -684.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 12.00 ± 1.08 D |
| Volume | 745.71 Å 3 |
| Surface Area | 621.13 Å 2 |
| HOMO Energy | -9.11 ± 0.55 eV |
| LUMO Energy | -0.85 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZAVRTXWWDAGODB-XDFJSJKPSA-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 |