3-[2-[(Z)-[3-(2-Carboxyethyl)-5-[(E)-(4-Ethyl-3-Methyl-5-Oxo-Pyrrol-2-Ylidene)Methyl]-4-Methyl-Pyrrol-2-Ylidene]Methyl]-5-[[(2R)-3-Ethyl-4-Methyl-5-Oxo-1,2-Dihydropyrrol-2-Yl]Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid

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Properties Simple | Detailed

Formula C33H40N4O6
IUPAC Name 3-[2-[(z)-[3-(2-carboxyethyl)-5-[(e)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[[(2s)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-pyrrol-1-ium-4-id-3-yl]propanoic acid
Molecular Mass 588.694 g·mol−1
Heat of Formation -935.3 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 737.05 Å 3
Surface Area 546.58 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy 1.26 ± eV
Point Group Symmetry C1
InChIKey YWHXTEHCIWOHBT-STWNLGFLSA-N
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