Formula |
C16H18BrN3OS |
IUPAC Name |
5-bromo-1-[(1s)-1-(dimethylamino)-2-methylsulfanyl-ethyl]pyrido[3,4-b]indol-9-ium-6-ol |
Molecular Mass |
380.303 g·mol−1 |
Heat of Formation |
85.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.44 ± 1.08 D |
Volume |
392.34 Å 3 |
Surface Area |
322.48 Å 2 |
HOMO Energy |
-8.32 ± 0.55 eV |
LUMO Energy |
2.10 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-bromo-1-[(1s)-1-dimethylamino-2-(methylthio)ethyl]-9h-$b-carbolin-6-ol
- 5-bromo-1-[(1s)-1-dimethylamino-2-(methylthio)ethyl]-9h-pyrido[3,4-b]indol-6-ol
- 5-bromo-1-[(1s)-1-dimethylamino-2-methylsulfanyl-ethyl]-9h-pyrido[3,4-b]indol-6-ol
- 5-bromo-1-[(1s)-1-dimethylamino-2-methylsulfanylethyl]-9h-pyrido[3,4-b]indol-6-ol
|
InChIKey |
UXXSAQIRPRDAQT-LLVKDONJSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
C
H
O
N
S
Br
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