2-[1-(Ethoxyamino)Butylidene]-5-(Tetrahydro-2H-Thiopyran-3-Yl)-1,3-Cyclohexanedione

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Properties Simple | Detailed

Formula C17H27NO3S+
IUPAC Name 2-[1-(ethoxyamino)butylidene]-5-[(3s)-tetrahydrothiopyran-3-yl]cyclohexane-1,3-dione
Molecular Mass 325.466 g·mol−1
Heat of Formation -522.6 ± 16.7 kJ·mol−1
Dipole Moment 2.86 ± 1.08 D
Volume 403.08 Å 3
Surface Area 347.67 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
InChIKey HAHCNFVGRVWFIP-VDXSDERCSA-N
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