| Formula |
C11H14BrNO4S |
| IUPAC Name |
(2r)-2-acetamido-3-[(1r,6r)-4-bromo-6-hydroxy-cyclohexa-2,4-dien-1-yl]sulfanyl-propanoic acid |
| Molecular Mass |
336.202 g·mol−1 |
| Heat of Formation |
-624.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.78 ± 1.08 D |
| Volume |
330.26 Å 3 |
| Surface Area |
296.32 Å 2 |
| HOMO Energy |
-9.07 ± 0.55 eV |
| LUMO Energy |
2.26 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
PWQBFQOMFVQBTE-IVZWLZJFSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
| Elements |
C
H
O
N
S
Br
|
| |
|
