| Formula |
C25H19N3O2S |
| IUPAC Name |
(3r)-n-(3-benzoylphenyl)-3-(3-pyridyl)-1,3-dihydropyrrolo[1,2-c]thiazol-4-ium-7a-ylium-7-carboxamide |
| Molecular Mass |
425.502 g·mol−1 |
| Heat of Formation |
186.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.07 ± 1.08 D |
| Volume |
488.1 Å 3 |
| Surface Area |
428.92 Å 2 |
| HOMO Energy |
-8.87 ± 0.55 eV |
| LUMO Energy |
-1.06 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
PQQFNXGONTVQLM-RUZDIDTESA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
S
C
O
N
|
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