(1S,9S)-6-Chloro-5-Hydroxy-17-Methoxy-2-Oxa-10,11,12,13-Tetrathia-15,17-Diazatetracyclo[12.2.2.0~1,9~.0~3,8~]Octadeca-3,5,7-Triene-16,18-Dione
Properties
Property | Value |
---|---|
Formula | C12H9ClN2O5S4 |
IUPAC Name | (1s,9s)-6-chloro-5-hydroxy-17-methoxy-2-oxa-10,11,12,13-tetrathia-15,17-diazatetracyclo[12.2.2.0 1,9 .0 3,8 ]octadeca-3,5,7-triene-16,18-dione |
Molecular Mass | 424.923 g·mol−1 |
Heat of Formation | -496.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.15 ± 1.08 D |
Volume | 402.73 Å 3 |
Surface Area | 323.72 Å 2 |
HOMO Energy | -8.99 ± 0.55 eV |
LUMO Energy | 0.81 ± eV |
Point Group Symmetry | C1 |
InChIKey | BYQXYZWYGWKZOQ-HOTUBEGUSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C Cl H O N S |