Carbon Dioxide; 2-[3-[(48S,49R)-43-[2-Cyanoethynyl(Methylene)-Λ4-Sulfanyl]-30,31,40,41-Tetraethynyl-55-(Hydroxymethyl)-26,27,32,33-Tetramethyl-Blahoctacyclo[Blah.Blah.Blah.Blah.Blah.Blah.Blah.Blah.Blah]Pentacosa-12(35),13(43),14(36),15(37),32(41),33(39),38(40)-Heptaen-55-Yl]-2,4-Dihydroimidazol-34-Yl]-3-Oxo-Prop-2-Enenitrile

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Formula C45H35FeN8O6S+
IUPAC Name carbon dioxide; 2-[3-[(48s,49r)-43-[2-cyanoethynyl(methylene)-λ4-sulfanyl]-30,31,40,41-tetraethynyl-55-(hydroxymethyl)-26,27,32,33-tetramethyl-blahoctacyclo[blah.blah.blah.blah.blah.blah.blah.blah.blah]pentacosa-12(35),13(43),14(36),15(37),32(41),33(39),38(40)-heptaen-55-yl]-2,4-dihydroimidazol-34-yl]-3-oxo-prop-2-enenitrile
Molecular Mass 871.719 g·mol−1
Heat of Formation 5542.3 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 882.73 Å 3
Surface Area 631.61 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -2.75 ± eV
Point Group Symmetry C1
InChIKey FLLVWBRLOLLOGR-IJAZVFOESA-N
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