3-[30,31,32-Tris(2-Carboxyethyl)-39,40-Bis(Carboxymethyl)-19,22,39,40-Tetramethyl-Blahoctacyclo[Blah.Blah.Blah.Blah.Blah.Blah.Blah.Blah.Blah]Pentacosa-5(23),6(24),7(25),8(27),22(30),26(31),28(39),29(42),32(40)-Nonaen-21-Yl]Propanoic Acid

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Formula C40H47FeN4O12
IUPAC Name 3-[30,31,32-tris(2-carboxyethyl)-39,40-bis(carboxymethyl)-19,22,39,40-tetramethyl-blahoctacyclo[blah.blah.blah.blah.blah.blah.blah.blah.blah]pentacosa-5(23),6(24),7(25),8(27),22(30),26(31),28(39),29(42),32(40)-nonaen-21-yl]propanoic acid
Molecular Mass 831.666 g·mol−1
Heat of Formation -2237.5 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 906.97 Å 3
Surface Area 680.64 Å 2
HOMO Energy -7.78 ± 0.55 eV
LUMO Energy 1.18 ± eV
Point Group Symmetry C1
InChIKey JJIIPBCQUZPJAW-XOLYYWOLSA-L
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