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

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Properties Simple | Detailed

Formula C33H34N4O6
IUPAC Name 3-[(2e)-2-[[3-(2-carboxylatoethyl)-4-methyl-5-[(z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-3h-pyrrol-2-yl]methylene]-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-pyrrol-1-ium-2-yl)methylene]pyrrol-3-yl]propanoate
Molecular Mass 582.646 g·mol−1
Heat of Formation 3759.3 ± 16.7 kJ·mol−1
Dipole Moment 18.79 ± 1.08 D
Volume 622.58 Å 3
Surface Area 528.76 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -4.42 ± eV
Point Group Symmetry C1
InChIKey RCNSAJSGRJSBKK-PZMVJIDMSA-N
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