[4-({4-[(5Z)-5-(3,4-Dichlorobenzylidene)-4-Oxo-4,5-Dihydro-1,3-Thiazol-2-Yl]-1-Piperazinyl}Methyl)Phenyl]Boronic Acid

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Properties Simple | Detailed

Formula C21H20BCl2N3O3S
IUPAC Name [4-[[4-[(5z)-5-[(3,4-dichlorophenyl)methylene]-4-oxo-thiazol-2-yl]piperazin-1-yl]methyl]phenyl]boronic acid
Molecular Mass 476.184 g·mol−1
Heat of Formation -467.9 ± 16.7 kJ·mol−1
Dipole Moment 6.56 ± 1.08 D
Volume 526.0 Å 3
Surface Area 454.2 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 1.90 ± eV
Point Group Symmetry C1
InChIKey CKUAZJLGUCZSNN-UNOMPAQXSA-N
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Elements C B Cl H O N S