4-(4-{[4-(4-Chlorophenyl)-5,6-Dihydro-2H-Pyran-3-Yl]Methyl}-1-Piperazinyl)-N-{[3-Nitro-4-(Tetrahydro-2H-Pyran-4-Ylamino)Phenyl]Sulfonyl}Benzamide

Molecule SVG Image

Properties Simple | Detailed

Formula C34H38ClN5O7S
IUPAC Name 4-[4-[[4-(4-chlorophenyl)-3,6-dihydro-2h-pyran-5-yl]methyl]piperazin-1-yl]-n-[3-nitro-4-(tetrahydropyran-4-ylamino)phenyl]sulfonyl-benzamide
Molecular Mass 696.213 g·mol−1
Heat of Formation 4292.6 ± 16.7 kJ·mol−1
Dipole Moment 7.83 ± 1.08 D
Volume 683.77 Å 3
Surface Area 580.09 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -3.11 ± eV
Point Group Symmetry C1
InChIKey AJWKZOOIFOHKSK-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C N S O Cl