N-{4-[(2Z)-2-[(3-Fluorophenyl)Imino]-3-(2-Furylmethyl)-4-Oxo-1,3-Thiazolidin-5-Yl]Phenyl}-N~2~-(Phenylacetyl)-L-Alaninamide

Molecule SVG Image

Properties Simple | Detailed

Formula C31H27FN4O4S
IUPAC Name (2s)-n-[4-[(2z,5s)-2-(3-fluorophenyl)imino-3-(2-furylmethyl)-4-oxo-thiazolidin-5-yl]phenyl]-2-[(2-phenylacetyl)amino]propanamide
Molecular Mass 570.634 g·mol−1
Heat of Formation -384.6 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 663.76 Å 3
Surface Area 558.95 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
InChIKey OVXGKBLDYDDKIK-VKDIHFDUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S