Formula |
C24H27ClN2O2S |
IUPAC Name |
2-[4-[(3z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl acetate |
Molecular Mass |
443.001 g·mol−1 |
Heat of Formation |
-151.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.23 ± 1.08 D |
Volume |
522.62 Å 3 |
Surface Area |
460.94 Å 2 |
HOMO Energy |
-8.30 ± 0.55 eV |
LUMO Energy |
-0.63 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (z)-4-(3-(2-chloro-9h-thioxanthen-9-ylidene)propyl)piperazine-1-ethyl acetate
- 2-[4-[(3z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl acetate
- 2-[4-[(3z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl ethanoate
- acetic acid 2-[4-[(3z)-3-(2-chloro-9-thioxanthenylidene)propyl]-1-piperazinyl]ethyl ester
- acetic acid 2-[4-[(3z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl ester
- clopenthixol acetate ester
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CAS Number(s) |
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InChIKey |
OXAUOBQMCDIVPQ-IOXNKQMXSA-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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