3-Chloro-N-{[4-(2-Hydroxyethyl)-4-Oxido-1-Piperazinyl]Sulfinyl}-5-Methyl-6-Oxo-2,4-Cyclohexadiene-1-Carboxamide

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Properties Simple | Detailed

Formula C14H21ClN3O5S+
IUPAC Name (1r)-3-chloro-n-[(r)-[4-(2-hydroxyethyl)-4-oxido-piperazin-4-ium-1-yl]sulfinyl]-5-methyl-6-oxo-cyclohexa-2,4-diene-1-carboxamide
Molecular Mass 378.852 g·mol−1
Heat of Formation -631.6 ± 16.7 kJ·mol−1
Dipole Moment 4.92 ± 1.08 D
Volume 413.84 Å 3
Surface Area 317.79 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry C1
InChIKey JOVZZAFFXJOKGY-MCFWBGNESA-N
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