5-Chloro-N-[1-(2-{[2-Fluoro-4-(2-Oxo-1(2H)-Pyridinyl)Phenyl]Amino}-2-Oxoethyl)-5-(Hydroxymethyl)-3-Pyrrolidinyl]-2-Thiophenecarboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C23H22ClFN4O4S+
IUPAC Name 5-chloro-n-[(1r,3r,5s)-1-[2-[2-fluoro-4-(2-oxo-1-pyridyl)anilino]-2-oxo-ethyl]-5-(hydroxymethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
Molecular Mass 504.962 g·mol−1
Heat of Formation -554.6 ± 16.7 kJ·mol−1
Dipole Moment 8.69 ± 1.08 D
Volume 532.87 Å 3
Surface Area 484.96 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
InChIKey FMLMGXAAZAZCMG-ZBFHGGJFSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H F O N S