4-(4-Chlorophenyl)-1-[(3S)-3,4-Dihydroxybutyl]-N-[3-(4-Methyl-1-Piperazinyl)Propyl]-3-Phenyl-1H-Pyrrole-2-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C29H37ClN4O3
IUPAC Name 4-(4-chlorophenyl)-1-[(3s)-3,4-dihydroxybutyl]-n-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-pyrrol-1-ium-4-ide-2-carboxamide
Molecular Mass 525.082 g·mol−1
Heat of Formation -341.8 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 648.42 Å 3
Surface Area 547.21 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 2.75 ± eV
Point Group Symmetry C1
InChIKey DXJMWRCEEVNUJU-VWLOTQADSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl