3-[2-[[3-(2-Carboxyethyl)-4-Methyl-5-[(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-1-Ium-2-Yl)Methylene]Pyrrol-3-Yl]Propanoic Acid

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Properties Simple | Detailed

Formula C33H50N4O6
IUPAC Name acetic acid; (1e,3e,5z,8e)-8-ethyl-2-methyl-7-methylene-10-[4-methyl-5-[(3-methyl-5-oxo-4-vinyl-pyrrol-1-ium-2-yl)methyl]-3h-pyrrol-3-id-2-yl]-3-vinyl-deca-1,3,5,8-tetraen-1-olate; hydron; hydroxymethanone; λ1-azane; λ2-carbane
Molecular Mass 599.781 g·mol−1
Heat of Formation 3253.4 ± 16.7 kJ·mol−1
Dipole Moment 10.09 ± 1.08 D
Volume 496.65 Å 3
Surface Area 442.7 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -3.33 ± eV
Point Group Symmetry C1
InChIKey RCNSAJSGRJSBKK-BEDCZWNXSA-N
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