N-[(6S)-2-(4-Fluorobenzyl)-10-Hydroxy-8-Isopropyl-6-Methyl-1,9-Dioxo-1,2,6,7,8,9-Hexahydropyrazino[1',2':1,5]Pyrrolo[2,3-D]Pyridazin-4-Yl]-N-Methylmethanesulfonamide
Properties
Property | Value |
---|---|
Formula | C22H26FN5O5S |
IUPAC Name | n-[(13s)-5-[(4-fluorophenyl)methyl]-8-hydroxy-11-isopropyl-13-methyl-6,10-dioxo-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-trien-3-yl]-n-methyl-methanesulfonamide |
Molecular Mass | 491.536 g·mol−1 |
Heat of Formation | -776.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.04 ± 1.08 D |
Volume | 551.21 Å 3 |
Surface Area | 426.73 Å 2 |
HOMO Energy | -8.78 ± 0.55 eV |
LUMO Energy | 1.97 ± eV |
Point Group Symmetry | C1 |
InChIKey | ITPCGSTZGSTIFB-ZDUSSCGKSA-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 |