3-[(5Z)-5-[[5-[(Z)-[(5Z)-5-[[4-(2-Carboxyethyl)-3-Methyl-5-Oxo-Pyrrol-2-Yl]Methylene]-3-Methyl-4-Vinyl-Pyrrol-2-Ylidene]Methyl]-3-Methyl-4-Vinyl-1H-Pyrrol-2-Yl]Methylene]-4-Methyl-2-Oxo-Pyrrol-3-Yl]Propanoic Acid

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Properties Simple | Detailed

Formula C33H34N4O6
IUPAC Name 3-[5-[(z)-[(5z)-5-[[5-[(z)-[4-(2-carboxyethyl)-3-methyl-5-oxo-pyrrol-2-ylidene]methyl]-4-methyl-3-vinyl-pyrrol-1-ium-5-ylium-2-yl]methylene]-4-methyl-3-vinyl-pyrrol-2-ylidene]methyl]-4-methyl-2-oxo-pyrrol-3-yl]propanoic acid
Molecular Mass 582.646 g·mol−1
Heat of Formation -596.2 ± 16.7 kJ·mol−1
Dipole Moment 7.00 ± 1.08 D
Volume 706.64 Å 3
Surface Area 546.06 Å 2
HOMO Energy -7.97 ± 0.55 eV
LUMO Energy -2.20 ± eV
Point Group Symmetry C1
InChIKey ISQGGWQAVOHBFX-BGSBWKAWSA-N
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