1-(5-Formamido-2-Methoxy-3,6-Dioxo-1,4-Cyclohexadien-1-Yl)-2-Propanyl 5-Chloro-2,4-Dihydroxybenzoate

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Properties Simple | Detailed

Formula C18H16ClNO8
IUPAC Name [(1r)-2-(5-formamido-2-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-1-methyl-ethyl] 5-chloro-2,4-dihydroxy-benzoate
Molecular Mass 409.775 g·mol−1
Heat of Formation -1228.9 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 435.96 Å 3
Surface Area 334.63 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
InChIKey WJOCXYVCMMPHIA-MRVPVSSYSA-N
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Elements H C N O Cl