Formula |
C26H20ClNO4 |
IUPAC Name |
4-[(6-chloro-1-oxo-4-phenyl-3-propanoyl-2-isoquinolyl)methyl]benzoic acid |
Molecular Mass |
445.894 g·mol−1 |
Heat of Formation |
-436.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.73 ± 1.08 D |
Volume |
507.03 Å 3 |
Surface Area |
415.77 Å 2 |
HOMO Energy |
-9.01 ± 0.55 eV |
LUMO Energy |
1.95 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 4-[(6-chloro-1-keto-4-phenyl-3-propionyl-2-isoquinolyl)methyl]benzoic acid
- 4-[(6-chloro-1-oxo-4-phenyl-3-propanoyl-isoquinolin-2-yl)methyl]benzoic acid
- 4-[[6-chloro-1-oxo-3-(1-oxopropyl)-4-phenyl-2-isoquinolyl]methyl]benzoic acid
|
InChIKey |
ITAZALHTZBIKDO-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
N
O
Cl
|
|
|