22-Methyl-13,18-Dioxa-7-Thia-3,5-Diazatetracyclo[17.3.1.1~2,6~.1~8,12~]Pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-Nonaen-4-Amine
Properties
| Property | Value |
|---|---|
| Formula | C21H21N3O2S |
| IUPAC Name | 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1 2,6 .1 8,12 ]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine |
| Molecular Mass | 379.475 g·mol−1 |
| Heat of Formation | -32.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.05 ± 1.08 D |
| Volume | 439.42 Å 3 |
| Surface Area | 358.92 Å 2 |
| HOMO Energy | -8.64 ± 0.55 eV |
| LUMO Energy | 2.41 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZRQBUFWZLIUDMG-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 |