4-[4-({4'-Chloro-3-[2-(Dimethylamino)Ethoxy]-2-Biphenylyl}Methyl)-1-Piperazinyl]-2-(1H-Indol-5-Yloxy)-N-({3-Nitro-4-[(Tetrahydro-2H-Pyran-4-Ylmethyl)Amino]Phenyl}Sulfonyl)Benzamide

Molecule SVG Image

Properties Simple | Detailed

Formula C48H52ClN7O8S
IUPAC Name 4-[4-[[2-(4-chlorophenyl)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperazin-1-yl]-2-(2h-indol-1-ium-2-ylium-5-yloxy)-n-[3-nitro-4-(tetrahydropyran-4-ylmethylamino)phenyl]sulfonyl-benzamide
Molecular Mass 922.487 g·mol−1
Heat of Formation -516.9 ± 16.7 kJ·mol−1
Dipole Moment 7.24 ± 1.08 D
Volume 1067.07 Å 3
Surface Area 859.7 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
InChIKey OEPSXIVYHBPSCA-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S