| Formula |
C16H15NO4S |
| IUPAC Name |
3-[[(2s)-3,4-dihydro-1h-isoquinolin-2-yl]sulfonyl]benzoic acid |
| Molecular Mass |
317.360 g·mol−1 |
| Heat of Formation |
-510.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.53 ± 1.08 D |
| Volume |
352.0 Å 3 |
| Surface Area |
309.05 Å 2 |
| HOMO Energy |
-9.38 ± 0.55 eV |
| LUMO Energy |
-1.41 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 3-(3,4-dihydro-1h-isoquinoline-2-sulfonyl)-benzoic acid
- bas 05946210
- benzoic acid, 3-(3,4-dihydro-1h-isoquinoline-2-sulfonyl)-
- oprea1_065304
- timtec1_006094
- zero/006075
|
| InChIKey |
ZGVIUMKHTXKKOX-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
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| Downloads |
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|
| Elements |
H
C
S
O
N
|
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