(25S,26R,27S,36S)-42-But-3-Ynyl-42,42-Di(Methyl)-28-Methylene-41-Thia-33,34,35-Triaza-36-Azonia-42Λ5-Ferratricyclo[Blah.Blah.Blah.Blah]Hentriacont-20-Yne-29,30,31,32-Tetrone

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Formula C32H38FeN4O4S
IUPAC Name (25s,26r,27s,36s)-42-but-3-ynyl-42,42-di(methyl)-28-methylene-41-thia-33,34,35-triaza-36-azonia-42λ5-ferratricyclo[blah.blah.blah.blah]hentriacont-20-yne-29,30,31,32-tetrone
Molecular Mass 630.578 g·mol−1
Heat of Formation 912.2 ± 16.7 kJ·mol−1
Dipole Moment 10.37 ± 1.08 D
Volume 646.61 Å 3
Surface Area 498.67 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
InChIKey GEJZIMWXLQTIFK-WOZYLDAHSA-N
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Elements C H O N S Fe