(3Ar,4S,7As,7Bs)-4-[2-({4-[(4-Carboxybutanoyl)Amino]Phenyl}Amino)-2-Oxoethyl]-4-Hydroxy-1A,7A-Dimethyldecahydrooxireno[F]Quinolin-4-Ium
Properties
| Property | Value |
|---|---|
| Formula | C24H34N3O6+ |
| IUPAC Name | 5-[4-[[2-[(1ar,3ar,4s,7as,7bs)-1a,7a-dimethyl-4-oxido-3,3a,5,6,7,7b-hexahydro-2h-oxireno[2,3-f]quinolin-4-ium-4-yl]acetyl]amino]anilino]-5-oxo-pentanoic acid |
| Molecular Mass | 460.543 g·mol−1 |
| Heat of Formation | -855.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.42 ± 1.08 D |
| Volume | 546.41 Å 3 |
| Surface Area | 463.68 Å 2 |
| HOMO Energy | -8.17 ± 0.55 eV |
| LUMO Energy | 3.10 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XJPQZRGGVAWNOB-UPVHCHBVSA-O |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |