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

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Properties Simple | Detailed

Formula C33H40N4O6
IUPAC Name 3-[(2z)-2-[[3-(2-carboxyethyl)-5-[(z)-[(3r,4r)-3-ethyl-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-pyrrol-1-ium-5-ylium-2-yl]methylene]-5-[(z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-3-yl]propanoic acid
Molecular Mass 588.694 g·mol−1
Heat of Formation -984.1 ± 16.7 kJ·mol−1
Dipole Moment 4.31 ± 1.08 D
Volume 733.17 Å 3
Surface Area 566.37 Å 2
HOMO Energy -7.81 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
InChIKey VXTXPYZGDQPMHK-GMXXPEQVSA-N
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