3-[2-[[3-(2-Carboxyethyl)-5-[(4-Ethyl-3-Methyl-5-Oxo-1,2-Dihydropyrrol-2-Yl)Methyl]-4-Methyl-Pyrrol-1-Ium-2-Ylidene]Methyl]-5-[(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 C33H42N4O6
IUPAC Name 3-[(2e)-2-[[3-(2-carboxyethyl)-5-[[(2s)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-pyrrol-1-ium-5-ylium-2-yl]methylene]-5-[[(2s)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-pyrrol-3-yl]propanoic acid
Molecular Mass 590.710 g·mol−1
Heat of Formation -968.3 ± 16.7 kJ·mol−1
Dipole Moment 8.37 ± 1.08 D
Volume 740.62 Å 3
Surface Area 589.71 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
InChIKey KDCCOOGTVSRCHX-ZNBDWXDLSA-N
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