3-[[(18S,19S,22Z,33S)-27-Ethynyl-15,20-Dimethyl-21-Methylene-36-Oxa-31,32,33-Triaza-34-Azonia-38Λ3-Ferraheptacyclo[Blah.Blah.Blah.Blah.Blah.Blah.Blah.Blah]Octacosa-8,10(25),20(27),22,24(32),26(34)-Hexaen-11-Yn-28-Ylidene]Methylene]Oxiran-2-One

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Formula C30H29FeN4O3+
IUPAC Name 3-[[(18s,19s,22z,33s)-27-ethynyl-15,20-dimethyl-21-methylene-36-oxa-31,32,33-triaza-34-azonia-38λ3-ferraheptacyclo[blah.blah.blah.blah.blah.blah.blah.blah]octacosa-8,10(25),20(27),22,24(32),26(34)-hexaen-11-yn-28-ylidene]methylene]oxiran-2-one
Molecular Mass 549.421 g·mol−1
Heat of Formation 4182.0 ± 16.7 kJ·mol−1
Dipole Moment 4.55 ± 1.08 D
Volume 549.41 Å 3
Surface Area 458.24 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