| Formula |
C25H25Cl2N5O4S |
| IUPAC Name |
n-[2-[4-[3-chloro-4-(3-chlorophenoxy)anilino]pyrrolo[3,2-d]pyrimidin-5-ium-5-yl]ethyl]-2-methyl-2-methylsulfonyl-propanamide |
| Molecular Mass |
562.468 g·mol−1 |
| Heat of Formation |
-336.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
15.76 ± 1.08 D |
| Volume |
611.61 Å 3 |
| Surface Area |
467.04 Å 2 |
| HOMO Energy |
-8.31 ± 0.55 eV |
| LUMO Energy |
2.62 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
UVBKNBPCVRBUTF-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
| Elements |
C
Cl
H
O
N
S
|
| |
|
