Carbon Dioxide; 2-[3-[43-[2-Cyanoethynyl(Methylene)-Λ4-Sulfanyl]-26,39,40,41-Tetraethynyl-55-(Hydroxymethyl)-27,28,29,30-Tetramethyl-Blahoctacyclo[Blah.Blah.Blah.Blah.Blah.Blah.Blah.Blah.Blah]Pentacosa-11(32),12(33),13(34),14(43),27(36),28(41),29(39),30(35),37(40),38(50)-Decaen-55-Yl]-4H-Imidazol-3-Ium-31-Yl]-3-Oxo-Prop-2-Enenitrile
Properties
| Property | Value |
|---|---|
| Formula | C45H27FeN8O6S+ |
| IUPAC Name | carbon dioxide; 2-[3-[43-[2-cyanoethynyl(methylene)-λ4-sulfanyl]-26,39,40,41-tetraethynyl-55-(hydroxymethyl)-27,28,29,30-tetramethyl-blahoctacyclo[blah.blah.blah.blah.blah.blah.blah.blah.blah]pentacosa-11(32),12(33),13(34),14(43),27(36),28(41),29(39),30(35),37(40),38(50)-decaen-55-yl]-4h-imidazol-3-ium-31-yl]-3-oxo-prop-2-enenitrile |
| Molecular Mass | 863.656 g·mol−1 |
| Heat of Formation | 5542.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.81 ± 1.08 D |
| Volume | 882.73 Å 3 |
| Surface Area | 631.61 Å 2 |
| HOMO Energy | -8.40 ± 0.55 eV |
| LUMO Energy | -2.75 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FLLVWBRLOLLOGR-IJAZVFOESA-N |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | S C Fe O N |