(2R,3S,5R)-5-[2-(Methylsulfonyl)-2,6-Dihydropyrrolo[3,4-C]Pyrazol-5(4H)-Yl]-2-(2,4,5-Trifluorophenyl)Tetrahydro-2H-Pyran-3-Amine
Properties
Property | Value |
---|---|
Formula | C17H19F3N4O3S |
IUPAC Name | (2r,3s,5r)-5-[(5r)-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(2,4,5-trifluorophenyl)tetrahydropyran-3-amine |
Molecular Mass | 416.418 g·mol−1 |
Heat of Formation | -726.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.98 ± 1.08 D |
Volume | 440.89 Å 3 |
Surface Area | 384.18 Å 2 |
HOMO Energy | -9.18 ± 0.55 eV |
LUMO Energy | -1.16 ± eV |
Point Group Symmetry | C1 |
InChIKey | MHALHPKVYBFTTL-TYFHEEPYSA-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 |