2-[[4-(2-Chloro-4,5-Dimethoxy-Phenyl)-5-Cyano-7H-Pyrrolo[2,3-D]Pyrimidin-2-Yl]Sulfanyl]-N,N-Dimethyl-Acetamide
Properties
Property | Value |
---|---|
Formula | C19H18ClN5O3S |
IUPAC Name | 2-[[4-(2-chloro-4,5-dimethoxy-phenyl)-5-cyano-7h-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-n,n-dimethyl-acetamide |
Molecular Mass | 431.896 g·mol−1 |
Heat of Formation | -51.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.04 ± 1.08 D |
Volume | 475.33 Å 3 |
Surface Area | 413.31 Å 2 |
HOMO Energy | -8.56 ± 0.55 eV |
LUMO Energy | 1.79 ± eV |
Point Group Symmetry | C1 |
InChIKey | JLZNENFSPWZCAG-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 |