| Formula |
C17H11N3O6S |
| IUPAC Name |
[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-nitrobenzoate |
| Molecular Mass |
385.351 g·mol−1 |
| Heat of Formation |
-222.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
8.92 ± 1.08 D |
| Volume |
410.94 Å 3 |
| Surface Area |
368.57 Å 2 |
| HOMO Energy |
-9.30 ± 0.55 eV |
| LUMO Energy |
-1.76 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-nitrobenzoic acid [4-keto-6-[(pyrimidin-2-ylthio)methyl]pyran-3-yl] ester
- 4-nitrobenzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester
|
| InChIKey |
UASIRTUMPRQVFY-UHFFFAOYSA-N |
| QR Code |
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| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
S
C
O
N
|
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