(3S)-6-[5-{[(2,3-Dichlorophenyl)Carbamoyl]Amino}-3-(2-Methyl-2-Propanyl)-1H-Pyrazol-1-Yl]-1,2,3,4-Tetrahydro-3-Isoquinolinecarboxylic Acid
Properties
Property | Value |
---|---|
Formula | C24H25Cl2N5O3 |
IUPAC Name | (3s)-6-[3-tert-butyl-5-[(2,3-dichlorophenyl)carbamoylamino]pyrazol-1-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate |
Molecular Mass | 502.393 g·mol−1 |
Heat of Formation | -262.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.20 ± 1.08 D |
Volume | 560.65 Å 3 |
Surface Area | 487.2 Å 2 |
HOMO Energy | -8.99 ± 0.55 eV |
LUMO Energy | -1.07 ± eV |
Point Group Symmetry | C1 |
Synonyms |
|
InChIKey | CMUVVEBHULJOFP-SFHVURJKSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C Cl O N |