3-(5-{[(2S)-1-Acetyl-2,3-Dihydro-1H-Indol-2-Yl]Methoxy}-1-[4-(5-Methoxy-2-Pyrimidinyl)Benzyl]-3-[(2-Methyl-2-Propanyl)Sulfanyl]-1H-Indol-2-Yl)-2,2-Dimethylpropanoic Acid

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Formula C40H44N4O5S
IUPAC Name 3-[5-[[(2s)-1-acetylindolin-2-yl]methoxy]-3-tert-butylsulfanyl-1-[[4-(5-methoxypyrimidine-1,3-diium-5-id-2-yl)phenyl]methyl]indol-1-ium-2-ylium-2-yl]-2,2-dimethyl-propanoic acid
Molecular Mass 692.866 g·mol−1
Heat of Formation -530.7 ± 16.7 kJ·mol−1
Dipole Moment 9.46 ± 1.08 D
Volume 842.62 Å 3
Surface Area 602.39 Å 2
HOMO Energy -7.88 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
InChIKey VYXWHVDEWWHDLH-LJAQVGFWSA-N
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