(4S,7R,8S)-18-Benzyl-4-Isopropyl-7,11-Dimethyl-6-Oxa-13,20-Dithia-3,10,17,22,23,24-Hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]Tetracosa-5(24),12(23),19(22)-Triene-2,9,16-Trione
Properties
Property | Value |
---|---|
Formula | C27H34N6O4S2 |
IUPAC Name | (4s,7r,8s,11s,18s)-18-benzyl-4-isopropyl-7,11-dimethyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1 5,8 .1 12,15 ]tetracosa-5(24),12(23),19(22)-triene-2,9,16-trione |
Molecular Mass | 570.727 g·mol−1 |
Heat of Formation | -448.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.85 ± 1.08 D |
Volume | 689.17 Å 3 |
Surface Area | 490.09 Å 2 |
HOMO Energy | -8.74 ± 0.55 eV |
LUMO Energy | -0.92 ± eV |
Point Group Symmetry | C1 |
InChIKey | WNSIWZVQPOAVNY-YLEISWEHSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |