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

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Properties Simple | Detailed

Formula C37H46N4O6
IUPAC Name 3-[5-[(5-tert-butoxy-4-methyl-3-vinyl-1h-pyrrol-2-yl)methyl]-2-[[3-(2-carboxyethyl)-4-methyl-5-[(z)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1h-pyrrol-2-yl]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
Molecular Mass 642.784 g·mol−1
Heat of Formation -893.9 ± 16.7 kJ·mol−1
Dipole Moment 5.11 ± 1.08 D
Volume 813.11 Å 3
Surface Area 628.59 Å 2
HOMO Energy -7.81 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
InChIKey JDQNAGCTUKHXGS-MWLSYYOVSA-N
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