| Formula |
C27H29ClN6OS |
| IUPAC Name |
2-[(1s)-1-[(z)-(6-chloro-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)amino]-2-(2-propyl-4-pyrazol-1-ium-4-id-4-yl-thiophen-1-ium-2-ylium-3-yl)ethyl]-5h-pyrimidin-4-one |
| Molecular Mass |
521.077 g·mol−1 |
| Heat of Formation |
266.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.59 ± 1.08 D |
| Volume |
613.79 Å 3 |
| Surface Area |
463.99 Å 2 |
| HOMO Energy |
-8.64 ± 0.55 eV |
| LUMO Energy |
2.00 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
SHQGADSMADPNBQ-QFIPXVFZSA-N |
| QR Code |
Generate QR Code |
| Links |
ChemSpider
|
| DOI |
|
| Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
| Elements |
C
Cl
H
O
N
S
|
| |
|
