| Formula |
C21H16N2O4S |
| IUPAC Name |
benzyl 6-benzyl-5,7-dioxo-thiazolo[3,2-c]pyrimidine-1,4-diium-2-carboxylate |
| Molecular Mass |
392.428 g·mol−1 |
| Heat of Formation |
-338.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.71 ± 1.08 D |
| Volume |
439.11 Å 3 |
| Surface Area |
391.49 Å 2 |
| HOMO Energy |
-8.99 ± 0.55 eV |
| LUMO Energy |
-1.33 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 5,7-dioxo-6-(phenylmethyl)-2-thiazolo[2,3-f]pyrimidinecarboxylic acid phenylmethyl ester
- 6-(benzyl)-5,7-diketo-thiazolo[3,2-c]pyrimidine-2-carboxylic acid benzyl ester
- phenylmethyl 5,7-dioxo-6-(phenylmethyl)thiazolo[2,3-f]pyrimidine-2-carboxylate
|
| InChIKey |
PLBINCOCFGQAJM-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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