3-[[(16S,17S,33S)-27-Ethynyl-15,18-Dimethyl-19-Methylene-36-Oxa-31,33-Diaza-32,34-Diazonia-38Λ3-Ferraheptacyclo[Blah.Blah.Blah.Blah.Blah.Blah.Blah.Blah]Octacosa-8,10(25),18(27),20,22(31),23(32),24(32),26(34)-Octaen-11-Yn-28-Ylidene]Methylene]Oxiran-2-One

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Formula C30H20FeN4O3+
IUPAC Name 3-[[(16s,17s,33s)-27-ethynyl-15,18-dimethyl-19-methylene-36-oxa-31,33-diaza-32,34-diazonia-38λ3-ferraheptacyclo[blah.blah.blah.blah.blah.blah.blah.blah]octacosa-8,10(25),18(27),20,22(31),23(32),24(32),26(34)-octaen-11-yn-28-ylidene]methylene]oxiran-2-one
Molecular Mass 540.350 g·mol−1
Heat of Formation 4182.0 ± 16.7 kJ·mol−1
Dipole Moment 4.56 ± 1.08 D
Volume 549.58 Å 3
Surface Area 458.39 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -2.40 ± eV
Point Group Symmetry C1
InChIKey TXPACERVXXBEPS-DWJCAOJKSA-M
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Elements C Fe O N