| Formula |
C27H23F5N4O2S |
| IUPAC Name |
n-[(1s)-1-[5-[2-(4-fluorophenoxy)ethylsulfanyl]-4-[(4-fluorophenyl)methyl]-2-aza-4-azonia-1-azanidacyclopenta-2,4-dien-3-yl]ethyl]-2-(trifluoromethyl)benzamide |
| Molecular Mass |
562.554 g·mol−1 |
| Heat of Formation |
-905.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
1.33 ± 1.08 D |
| Volume |
615.64 Å 3 |
| Surface Area |
515.04 Å 2 |
| HOMO Energy |
-8.98 ± 0.55 eV |
| LUMO Energy |
-1.04 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
SZVUNXFRJYHQBI-KRWDZBQOSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
| Elements |
C
F
H
O
N
S
|
| |
|
