| Formula |
C31H34FN5O5S |
| IUPAC Name |
n3-[(1s,2s)-1-benzyl-2-hydroxy-3-(3h-pyrazol-1-ium-3-ylium-1-yl)propyl]-n1-[(1r)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide |
| Molecular Mass |
607.696 g·mol−1 |
| Heat of Formation |
-664.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.34 ± 1.08 D |
| Volume |
732.5 Å 3 |
| Surface Area |
564.71 Å 2 |
| HOMO Energy |
-9.57 ± 0.55 eV |
| LUMO Energy |
-1.23 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
YTBFVFURRJQMRL-AUDJAPFVSA-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
|
| |
|
