(1R,7S,8R,11R)-7-Hydroxy-11-(Hydroxymethyl)-15-Methyl-12,13-Dithia-9,15-Diazatetracyclo[9.2.2.0~1,9~.0~3,8~]Pentadeca-3,5-Diene-10,14-Dione
Properties
Property | Value |
---|---|
Formula | C13H14N2O4S2 |
IUPAC Name | (1s,7r,8r,11s)-7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.0 1,9 .0 3,8 ]pentadeca-3,5-diene-10,14-dione |
Molecular Mass | 326.391 g·mol−1 |
Heat of Formation | -499.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.11 ± 1.08 D |
Volume | 334.75 Å 3 |
Surface Area | 276.62 Å 2 |
HOMO Energy | -8.95 ± 0.55 eV |
LUMO Energy | -2.01 ± eV |
Point Group Symmetry | C1 |
InChIKey | FIVPIPIDMRVLAY-PNZRWIHMSA-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 |