3-[(3S,4S,21R)-14-Ethyl-21-(Methoxycarbonyl)-4,8,13,18-Tetramethyl-20-Oxo-9-Vinyl-24,25-Dihydro-3-Phorbinyl]Propanoic Acid

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Properties Simple | Detailed

Formula C35H36N4O5
IUPAC Name carbon dioxide; [2-[5-[2-(cyanomethyl)-3-methylene-4-oxo-3ah-cyclopenta[b]pyrrol-1-ium-6-yl]-4-ethynyl-3-methyl-pyrrol-1-ium-2-yl]cyclopropen-1-yl]-methylidyne-ammonium
Molecular Mass 592.684 g·mol−1
Heat of Formation -315.1 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 709.34 Å 3
Surface Area 573.23 Å 2
HOMO Energy -7.64 ± 0.55 eV
LUMO Energy -1.91 ± eV
Point Group Symmetry C1
InChIKey OINDWIFDMFYGDX-QEWKCGBTSA-N
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