3-[[(18S,19S,22Z,33S)-27-Ethynyl-15,20-Dimethyl-21-Methylene-36-Oxa-31,32,33-Triaza-34-Azonia-38Λ3-Ferraheptacyclo[Blah.Blah.Blah.Blah.Blah.Blah.Blah.Blah]Octacosa-8,10(25),20(27),22,24(32),26(34)-Hexaen-11-Yn-28-Ylidene]Methylene]Oxiran-2-One
Properties
| Property | Value |
|---|---|
| Formula | C30H29FeN4O3+ |
| IUPAC Name | 3-[[(18s,19s,22z,33s)-27-ethynyl-15,20-dimethyl-21-methylene-36-oxa-31,32,33-triaza-34-azonia-38λ3-ferraheptacyclo[blah.blah.blah.blah.blah.blah.blah.blah]octacosa-8,10(25),20(27),22,24(32),26(34)-hexaen-11-yn-28-ylidene]methylene]oxiran-2-one |
| Molecular Mass | 549.421 g·mol−1 |
| Heat of Formation | 4182.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.55 ± 1.08 D |
| Volume | 549.41 Å 3 |
| Surface Area | 458.24 Å 2 |
| HOMO Energy | -8.42 ± 0.55 eV |
| LUMO Energy | -2.40 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | TXPACERVXXBEPS-DWJCAOJKSA-M |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Fe O N |