Formula |
C22H26N2O2S |
IUPAC Name |
5-[2-(benzenesulfonyl)ethyl]-3-[[(1s,2r)-1-methylpyrrolidin-2-yl]methyl]-2h-indol-1-ium-2-ylium |
Molecular Mass |
382.519 g·mol−1 |
Heat of Formation |
-121.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.68 ± 1.08 D |
Volume |
484.15 Å 3 |
Surface Area |
386.47 Å 2 |
HOMO Energy |
-8.50 ± 0.55 eV |
LUMO Energy |
-0.48 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1h-indole, 3-(((2r)-1-methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)ethyl)-
- 3-[[(2r)-1-methyl-2-pyrrolidinyl]methyl]-5-(2-phenylsulfonylethyl)-1h-indole
- 3-[[(2r)-1-methylpyrrolidin-2-yl]methyl]-5-(2-phenylsulfonylethyl)-1h-indole
- uk 116044
- uk-116044
- uk-116044-04
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CAS Number(s) |
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InChIKey |
PWVXXGRKLHYWKM-LJQANCHMSA-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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