| Formula |
C27H29ClN6O3S |
| IUPAC Name |
4-[3-chloro-4-(1-methylimidazol-1-ium-3-id-2-yl)sulfanyl-anilino]-7-[3-[2-hydroxyethyl(methyl)amino]propoxy]-6-methoxy-quinoline-3-carbonitrile |
| Molecular Mass |
553.076 g·mol−1 |
| Heat of Formation |
3.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.74 ± 1.08 D |
| Volume |
641.07 Å 3 |
| Surface Area |
520.93 Å 2 |
| HOMO Energy |
-8.57 ± 0.55 eV |
| LUMO Energy |
-1.30 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
QEMHSTOIAUCOQF-UHFFFAOYSA-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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