| Formula |
C18H20N4O5S |
| IUPAC Name |
ethyl 5-[(1r)-1-ethoxycarbonyl-2-oxo-propyl]sulfanyl-1,2-dihydrotriazolo[1,5-a]quinazoline-3-carboxylate |
| Molecular Mass |
404.440 g·mol−1 |
| Heat of Formation |
3023.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
9.67 ± 1.08 D |
| Volume |
431.31 Å 3 |
| Surface Area |
387.89 Å 2 |
| HOMO Energy |
-8.37 ± 0.55 eV |
| LUMO Energy |
-4.23 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
JTPUHTLSVQEMRB-CQSZACIVSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
S
O
N
|
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