Formula |
C21H15F4N5O2S |
IUPAC Name |
4-[7-[6-cyano-5-(trifluoromethyl)-3-pyridyl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-n-methyl-benzamide |
Molecular Mass |
477.435 g·mol−1 |
Heat of Formation |
-614.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.63 ± 1.08 D |
Volume |
505.88 Å 3 |
Surface Area |
425.84 Å 2 |
HOMO Energy |
-9.35 ± 0.55 eV |
LUMO Energy |
-1.92 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
HJBWBFZLDZWPHF-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
Wikipedia
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
C
F
H
O
N
S
|
|
|