4-Amino-20,22-Dimethyl-13-Oxa-7-Thia-3,5,17-Triazatetracyclo[17.3.1.1~2,6~.1~8,12~]Pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-Nonaen-18-One
Properties
| Property | Value |
|---|---|
| Formula | C22H22N4O2S |
| IUPAC Name | 4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1 2,6 .1 8,12 ]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one |
| Molecular Mass | 406.501 g·mol−1 |
| Heat of Formation | -64.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.64 ± 1.08 D |
| Volume | 464.74 Å 3 |
| Surface Area | 386.13 Å 2 |
| HOMO Energy | -8.63 ± 0.55 eV |
| LUMO Energy | -0.68 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HDKDXSZAJVZYLD-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |