Formula |
C21H26N4O5S |
IUPAC Name |
n-[4-[(2r)-2-hydroxy-3-[2-[4-(4h-imidazol-3-ium-4-ylium-3-yl)phenoxy]ethylamino]propoxy]phenyl]methanesulfonamide |
Molecular Mass |
446.520 g·mol−1 |
Heat of Formation |
-486.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.59 ± 1.08 D |
Volume |
532.82 Å 3 |
Surface Area |
429.54 Å 2 |
HOMO Energy |
-9.02 ± 0.55 eV |
LUMO Energy |
-0.73 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
QZWUQVSQIFFFKY-LJQANCHMSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
S
C
O
N
|
|
|