[(1R,2S)-2-[(7-Carbamoyl-2-Formyl-1,5,6,8-Tetrahydroindolizine-1,2,3,5,6,7,8,8A-Octaid-3-Yl)Amino]-1-(Carbamoyloxymethyl)-2-Carboxy-1-Methyl-Ethyl]-Hydroxy-Oxido-Sulfonium
Properties
| Property | Value |
|---|---|
| Formula | C16H19N4O8S+ |
| IUPAC Name | [(1r,2s)-2-[(7-carbamoyl-2-formyl-1,5,6,8-tetrahydroindolizine-1,2,3,5,6,7,8,8a-octaid-3-yl)amino]-1-(carbamoyloxymethyl)-2-carboxy-1-methyl-ethyl]-hydroxy-oxido-sulfonium |
| Molecular Mass | 427.409 g·mol−1 |
| Heat of Formation | -1153.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.86 ± 1.08 D |
| Volume | 456.21 Å 3 |
| Surface Area | 377.55 Å 2 |
| HOMO Energy | -9.07 ± 0.55 eV |
| LUMO Energy | -1.30 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UMIQRKWLSCISLU-XDVJZIITSA-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 |