| Formula |
C27H24N6S |
| IUPAC Name |
2-[3-[(3r)-1-[4-(benzothiophen-2-yl)pyrimidin-2-yl]-3-piperidyl]-2-methyl-6h-pyrrolo[2,3-b]pyridin-1-ium-6-ylium-1-yl]acetonitrile |
| Molecular Mass |
464.585 g·mol−1 |
| Heat of Formation |
629.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.08 ± 1.08 D |
| Volume |
547.5 Å 3 |
| Surface Area |
469.19 Å 2 |
| HOMO Energy |
-8.48 ± 0.55 eV |
| LUMO Energy |
-0.80 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
OZRJTNXVIRAQAD-FQEVSTJZSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
| Elements |
H
C
S
N
|
| |
|
