4-(Nitrooxy)Butyl {(1Z)-5-Fluoro-2-Methyl-1-[4-(Methylsulfinyl)Benzylidene]-1H-Inden-3-Yl}Acetate

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Properties Simple | Detailed

Formula C24H24FNO6S
IUPAC Name 4-nitrooxybutyl 2-[(3z)-6-fluoro-2-methyl-3-[[4-[(r)-methylsulfinyl]phenyl]methylene]inden-1-yl]acetate
Molecular Mass 473.514 g·mol−1
Heat of Formation -562.7 ± 16.7 kJ·mol−1
Dipole Moment 6.13 ± 1.08 D
Volume 543.47 Å 3
Surface Area 471.84 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 1.80 ± eV
Point Group Symmetry C1
InChIKey CMZSMYLJISCEDU-SZHKVQDHSA-N
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