Formula |
C18H18BrClN2O2S |
IUPAC Name |
(2s)-3-(4-bromo-3-thienyl)-2-[(6-chloro-3,3-dimethyl-4h-isoquinolin-1-yl)amino]propanoic acid |
Molecular Mass |
441.770 g·mol−1 |
Heat of Formation |
-194.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
0.41 ± 1.08 D |
Volume |
454.92 Å 3 |
Surface Area |
353.0 Å 2 |
HOMO Energy |
-8.90 ± 0.55 eV |
LUMO Energy |
2.29 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
LZMNPXMCRBRYAN-HNNXBMFYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
C
Cl
H
O
N
S
Br
|
|
|