[(2S)-2-Carboxy-2-[[2-Formyl-7-(Methoxycarbonylamino)-1,5,6,8-Tetrahydroindolizine-1,2,3,5,6,7,8,8A-Octaid-3-Yl]Amino]-1,1-Dimethyl-Ethyl]-Hydroxy-Oxido-Sulfonium
Properties
| Property | Value |
|---|---|
| Formula | C16H20N3O7S+ |
| IUPAC Name | [(2s)-2-carboxy-2-[[2-formyl-7-(methoxycarbonylamino)-1,5,6,8-tetrahydroindolizine-1,2,3,5,6,7,8,8a-octaid-3-yl]amino]-1,1-dimethyl-ethyl]-hydroxy-oxido-sulfonium |
| Molecular Mass | 398.411 g·mol−1 |
| Heat of Formation | -980.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.44 ± 1.08 D |
| Volume | 435.83 Å 3 |
| Surface Area | 369.37 Å 2 |
| HOMO Energy | -8.43 ± 0.55 eV |
| LUMO Energy | -0.96 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PJKPPGWVJRKHLL-RFMXUXEOSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |