| Formula |
C21H23ClN4O4S |
| IUPAC Name |
4-chloro-6-[4-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]-1h-pyrazol-5-yl]benzene-1,3-diol |
| Molecular Mass |
462.950 g·mol−1 |
| Heat of Formation |
-347.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.66 ± 1.08 D |
| Volume |
510.58 Å 3 |
| Surface Area |
428.72 Å 2 |
| HOMO Energy |
-8.91 ± 0.55 eV |
| LUMO Energy |
-0.98 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
BDFJIEMVNDLSTB-UHFFFAOYSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
Cl
H
O
N
S
|
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