(3S)-3-Ethyl-4-[(1-Methyl-1H-Imidazol-5-Yl)Methyl]Dihydro-2(3H)-Thiophenone

Molecule SVG Image

Properties Simple | Detailed

Formula C11H16N2OS
IUPAC Name (3s,4s)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]tetrahydrothiophen-2-one
Molecular Mass 224.323 g·mol−1
Heat of Formation -100.7 ± 16.7 kJ·mol−1
Dipole Moment 5.62 ± 1.08 D
Volume 281.07 Å 3
Surface Area 244.76 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
InChIKey JEKWFJIPBJGBJT-SCZZXKLOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N