Formula |
C26H29N5OS2 |
IUPAC Name |
6-[4-[2-(dimethylamino)ethoxy]phenyl]-n-(1,3-dithiolan-2-ylmethyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-ium-4-amine |
Molecular Mass |
491.671 g·mol−1 |
Heat of Formation |
251.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.22 ± 1.08 D |
Volume |
581.06 Å 3 |
Surface Area |
462.76 Å 2 |
HOMO Energy |
-8.16 ± 0.55 eV |
LUMO Energy |
2.54 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
RHDMCDPPAAUUMD-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
S
O
N
|
|
|