| Formula |
C21H23NO3S |
| IUPAC Name |
(2r)-2-[5-methoxy-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-1-ium-2-ylium-3-yl]propanoic acid |
| Molecular Mass |
369.477 g·mol−1 |
| Heat of Formation |
-354.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.65 ± 1.08 D |
| Volume |
452.56 Å 3 |
| Surface Area |
380.39 Å 2 |
| HOMO Energy |
-8.08 ± 0.55 eV |
| LUMO Energy |
-0.33 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
QTUGRCJHUSVWGW-CYBMUJFWSA-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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