| Formula |
C22H19NO4S |
| IUPAC Name |
(2s,3r)-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1h-isoquinoline-3-carboxylic acid |
| Molecular Mass |
393.456 g·mol−1 |
| Heat of Formation |
-404.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.03 ± 1.08 D |
| Volume |
445.0 Å 3 |
| Surface Area |
380.03 Å 2 |
| HOMO Energy |
-9.30 ± 0.55 eV |
| LUMO Energy |
-0.85 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (3r)-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1h-isoquinoline-3-carboxylic acid
- 2-(biphenyl-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
- bsi
|
| InChIKey |
BNVMUDXGABBWGP-OAQYLSRUSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
S
C
O
N
|
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