(5S,18R,19S)-31-Oxo-20-Oxa-2,6,11,13-Tetraazahexacyclo[19.6.2.1~2,5~.1~15,19~.0~9,13~.0~24,28~]Hentriaconta-1(27),9,11,15,21,23,25,28-Octaene-18-Carbonitrile
Properties
| Property | Value |
|---|---|
| Formula | C27H27N5O2 |
| IUPAC Name | (5s,18r,19s)-31-oxo-20-oxa-2,6,11,13-tetraazahexacyclo[19.6.2.1 2,5 .1 15,19 .0 9,13 .0 24,28 ]hentriaconta-1(27),9,11,15,21,23,25,28-octaene-18-carbonitrile |
| Molecular Mass | 453.536 g·mol−1 |
| Heat of Formation | 156.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.37 ± 1.08 D |
| Volume | 536.36 Å 3 |
| Surface Area | 410.96 Å 2 |
| HOMO Energy | -8.81 ± 0.55 eV |
| LUMO Energy | 2.27 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GBEQWWUQNVMGMR-PSUQPPDWSA-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 |