| Formula |
C21H22N6O2S |
| IUPAC Name |
prop-2-ynyl n-[[3-[4-(1-piperidyl)-2-(3-pyridyl)thiazol-5-yl]-1h-pyrazol-5-yl]methyl]carbamate |
| Molecular Mass |
422.503 g·mol−1 |
| Heat of Formation |
319.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.71 ± 1.08 D |
| Volume |
457.26 Å 3 |
| Surface Area |
413.5 Å 2 |
| HOMO Energy |
-8.71 ± 0.55 eV |
| LUMO Energy |
1.51 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
DJDJEDRAXXHMHQ-UHFFFAOYSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
S
O
N
|
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