N-[(1R,2R)-2-(Carbamimidamidomethyl)-2,3-Dihydro-1H-Inden-1-Yl]-N'-(4-Chloro-3-Fluorophenyl)Ethanediamide

Molecule SVG Image

Properties Simple | Detailed

Formula C19H19ClFN5O2
IUPAC Name (4-chloro-3-fluoro-benzene-2,5,6-triid-1-yl)-[2-[[2-[(λ1-azanylcarbonimidoyl)azanidylmethyl]-4,5,6,7-tetrahydroindene-1,2,4,5,6,7-hexaid-1-yl]azanidyl]-2-oxo-acetyl]azanide
Molecular Mass 403.838 g·mol−1
Heat of Formation -310.3 ± 16.7 kJ·mol−1
Dipole Moment 7.23 ± 1.08 D
Volume 452.1 Å 3
Surface Area 403.63 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
InChIKey PZYMVIYVOCOSHZ-BDJLRTHQSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H Cl O N