(6S)-2-(3-Chloro-4-Fluorobenzyl)-8-Ethyl-10-Hydroxy-6-Methyl-4-(5-Methyl-1,1-Dioxido-1,2,5-Thiadiazolidin-2-Yl)-7,8-Dihydropyrazino[1',2':1,5]Pyrrolo[2,3-D]Pyridazine-1,9(2H,6H)-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C22H30ClFN6O5S+
IUPAC Name (6s)-2-[(3-chloro-4-fluoro-phenyl)methyl]-8-ethyl-10-hydroxy-6-methyl-4-[(2s,5r)-5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-6,7-dihydropyrazino[5,6]pyrrolo[1,2-b]pyridazine-2,5-diium-1,9-dione
Molecular Mass 545.027 g·mol−1
Heat of Formation -710.3 ± 16.7 kJ·mol−1
Dipole Moment 9.50 ± 1.08 D
Volume 568.8 Å 3
Surface Area 452.42 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
InChIKey DXTGTNDZQFNYNI-LBPRGKRZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H Cl O N S