| Formula |
C15H15ClN3O2S+ |
| IUPAC Name |
8-chloro-2-[[(3s)-3-hydroxypyrrolidin-1-yl]methyl]-3h-benzothiopheno[3,2-d]pyrimidin-3-ium-4-one |
| Molecular Mass |
336.817 g·mol−1 |
| Heat of Formation |
-173.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.03 ± 1.08 D |
| Volume |
363.69 Å 3 |
| Surface Area |
325.81 Å 2 |
| HOMO Energy |
-8.39 ± 0.55 eV |
| LUMO Energy |
1.68 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
DSUSQUXNJRQJMI-VIFPVBQESA-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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