N-[(2R)-3-(3-Cyanophenyl)-1-Oxo-1-(1-Pyrrolidinyl)-2-Propanyl]-8-Fluoro-1,2,3,4-Tetrahydro-6-Isoquinolinesulfonamide
Properties
Property | Value |
---|---|
Formula | C23H25FN4O3S |
IUPAC Name | n-[(1r)-1-[(3-cyanophenyl)methyl]-2-oxo-2-pyrrolidin-1-yl-ethyl]-8-fluoro-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide |
Molecular Mass | 456.533 g·mol−1 |
Heat of Formation | -464.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.79 ± 1.08 D |
Volume | 527.38 Å 3 |
Surface Area | 395.3 Å 2 |
HOMO Energy | -9.42 ± 0.55 eV |
LUMO Energy | -1.22 ± eV |
Point Group Symmetry | C1 |
InChIKey | HMBXWXQQVHJMOO-JOCHJYFZSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H O N S |