Formula |
C9H12ClNO4S |
IUPAC Name |
(2s)-3-amino-2-(4-chlorophenyl)-2-hydroxy-propane-1-sulfonic acid |
Molecular Mass |
265.714 g·mol−1 |
Heat of Formation |
-681.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.11 ± 1.08 D |
Volume |
280.71 Å 3 |
Surface Area |
252.39 Å 2 |
HOMO Energy |
-9.56 ± 0.55 eV |
LUMO Energy |
-0.79 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- (2s)-3-ammonio-2-(4-chlorophenyl)-2-hydroxy-propane-1-sulfonate
- (2s)-3-ammonio-2-(4-chlorophenyl)-2-hydroxypropane-1-sulfonate
- (2s)-3-azaniumyl-2-(4-chlorophenyl)-2-hydroxy-propane-1-sulfonate
- (2s)-3-azaniumyl-2-(4-chlorophenyl)-2-hydroxypropane-1-sulfonate
|
InChIKey |
WBSMZVIMANOCNX-VIFPVBQESA-N |
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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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