1-{(2R,6S,14S,22S,25R)-25-[(2S)-3,3-Dimethyl-2-Oxiranyl]-15-Methyl-1,3,13,15-Tetraazaheptacyclo[18.4.1.0~2,6~.0~6,22~.0~7,12~.0~14,22~.0~16,21~]Pentacosa-7,9,11,16,18,20-Hexaen-3-Yl}-1-Butanone
Properties
| Property | Value |
|---|---|
| Formula | C30H36N4O2 |
| IUPAC Name | 1-{(2r,6s,14s,22s,25r)-25-[(2s)-3,3-dimethyl-2-oxiranyl]-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0 2,6 .0 6,22 .0 7,12 .0 14,22 .0 16,21 ]pentacosa-7,9,11,16,18,20-hexaen-3-yl}-1-butanone |
| Molecular Mass | 484.632 g·mol−1 |
| Heat of Formation | -50.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.20 ± 1.08 D |
| Volume | 583.62 Å 3 |
| Surface Area | 440.37 Å 2 |
| HOMO Energy | -8.17 ± 0.55 eV |
| LUMO Energy | 3.30 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RMGREFLDMCGIFA-WFMSWEOJSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |