(17R,18S,19R,21S,22R,23S)-23-Ethynyl-21,22-Dimethyl-25-Methylsulfonyl-25-Azonia-24-Azanidapentacyclo[Blah.Blah.Blah.Blah.Blah.Blah]Icosa-5(15),11,13(20),16(25)-Tetraen-23-Ol
Properties
| Property | Value |
|---|---|
| Formula | C23H28N2O3S |
| IUPAC Name | (17r,18s,19r,21s,22r,23s)-23-ethynyl-21,22-dimethyl-25-methylsulfonyl-25-azonia-24-azanidapentacyclo[blah.blah.blah.blah.blah.blah]icosa-5(15),11,13(20),16(25)-tetraen-23-ol |
| Molecular Mass | 412.545 g·mol−1 |
| Heat of Formation | -141.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.77 ± 1.08 D |
| Volume | 479.68 Å 3 |
| Surface Area | 387.04 Å 2 |
| HOMO Energy | -8.45 ± 0.55 eV |
| LUMO Energy | 2.61 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WFBWJUFOSZHXKC-OYGDUULSSA-N |
| QR Code | Generate QR Code |
| Links | PubChem |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |