2-(5-Chloro-2-Thienyl)-N-[(3S)-1-(4-{2-[(Dimethylamino)Methyl]-1H-Imidazol-1-Yl}-2-Fluorophenyl)-2-Oxo-3-Pyrrolidinyl]Ethanesulfonamide

Molecule SVG Image

Properties Simple | Detailed

Formula C22H25ClFN5O3S2
IUPAC Name 2-(5-chloro-2-thienyl)-n-[(3s)-1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluoro-phenyl]-2-oxo-pyrrolidin-3-yl]ethanesulfonamide
Molecular Mass 526.047 g·mol−1
Heat of Formation -335.7 ± 16.7 kJ·mol−1
Dipole Moment 5.71 ± 1.08 D
Volume 604.96 Å 3
Surface Area 478.58 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
InChIKey JENHCPNBBPPGMN-SFHVURJKSA-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