(E)-1-(4-Acetylpiperazin-1-Yl)-3-[4-(2-Isopropylphenyl)Sulfanyl-3-Nitro-Phenyl]Prop-2-En-1-One

Molecule SVG Image

Properties Simple | Detailed

Formula C24H27N3O4S
IUPAC Name (e)-1-(4-acetylpiperazin-1-yl)-3-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one
Molecular Mass 453.554 g·mol−1
Heat of Formation -174.3 ± 16.7 kJ·mol−1
Dipole Moment 6.29 ± 1.08 D
Volume 542.31 Å 3
Surface Area 452.71 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 1.59 ± eV
Point Group Symmetry C1
InChIKey HGRUBSKSRMFTRA-PKNBQFBNSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N