| Formula |
C20H25ClN4O3S |
| IUPAC Name |
1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridyl)-2-pyridyl]piperazin-1-yl]-3-methylsulfonyl-propan-1-one |
| Molecular Mass |
436.956 g·mol−1 |
| Heat of Formation |
-381.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.01 ± 1.08 D |
| Volume |
491.98 Å 3 |
| Surface Area |
431.68 Å 2 |
| HOMO Energy |
-8.79 ± 0.55 eV |
| LUMO Energy |
-0.49 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
BBVNTTZIOTWDSV-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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