Formula |
C22H22ClN3O6S |
IUPAC Name |
1-[(3s)-1-[3-(3-chlorophenoxy)-4-hydroxy-phenyl]sulfonyl-3-piperidyl]-5-methyl-pyrimidine-2,4-dione |
Molecular Mass |
491.945 g·mol−1 |
Heat of Formation |
-860.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.15 ± 1.08 D |
Volume |
533.1 Å 3 |
Surface Area |
444.97 Å 2 |
HOMO Energy |
-9.30 ± 0.55 eV |
LUMO Energy |
-1.22 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
IDMZBDJWQBWWLK-INIZCTEOSA-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
|
|
|