Formula |
C29H34Cl2N6O3S2 |
IUPAC Name |
carbon dioxide; 6-chloro-2h-pyridine-1-carbonitrile; [2-nitroso-5-(4-phenylpyrazine-1,4-diium-1-yl)-5h-thiazol-3-ium-4-yl]methyl thiohypochlorite |
Molecular Mass |
649.655 g·mol−1 |
Heat of Formation |
-249.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.52 ± 1.08 D |
Volume |
713.86 Å 3 |
Surface Area |
589.25 Å 2 |
HOMO Energy |
-8.06 ± 0.55 eV |
LUMO Energy |
-1.30 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1-[3-chloro-5-[[4-(4-chloro-2-thienyl)-5-(4-cyclohexylpiperazin-1-yl)thiazol-2-yl]carbamoyl]-2-pyridyl]isonipecotic acid
- 1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]pyridin-2-yl]piperidine-4-carboxylic acid
- 1-[3-chloro-5-[[[4-(4-chloro-2-thienyl)-5-(4-cyclohexyl-1-piperazinyl)-2-thiazolyl]amino]-oxomethyl]-2-pyridyl]-4-piperidinecarboxylic acid
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InChIKey |
OFZJKCQENFPZBH-UHFFFAOYSA-N |
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Links |
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Elements |
C
Cl
H
O
N
S
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