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

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Properties Simple | Detailed

Formula C33H34N4O6
IUPAC Name 3-[(2z)-2-[[3-(2-carboxyethyl)-4-methyl-5-[(z)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]pyrrol-1-ium-2-ylium-2-yl]methylene]-4-methyl-5-[(z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]pyrrol-3-yl]propanoic acid
Molecular Mass 582.646 g·mol−1
Heat of Formation -632.8 ± 16.7 kJ·mol−1
Dipole Moment 3.59 ± 1.08 D
Volume 711.02 Å 3
Surface Area 547.15 Å 2
HOMO Energy -7.99 ± 0.55 eV
LUMO Energy -2.04 ± eV
Point Group Symmetry C1
InChIKey GWZYPXHJIZCRAJ-SRVCBVSDSA-N
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