(2R,2'R)-2,2'-(1,3-Phenylenebis{Carbonylimino-2,1-Ethanediyl[(4-Biphenylylsulfonyl)Imino]})Bis(3-Methylbutanoic Acid) (Non-Preferred Name)

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Properties Simple | Detailed

Formula C46H50N4O10S2
IUPAC Name (2r)-2-[2-[[3-[2-[[(1r)-1-carboxy-2-methyl-propyl]-(4-phenylphenyl)sulfonyl-amino]ethylcarbamoyl]benzoyl]amino]ethyl-(4-phenylphenyl)sulfonyl-amino]-3-methyl-butanoic acid
Molecular Mass 883.040 g·mol−1
Heat of Formation -1395.9 ± 16.7 kJ·mol−1
Dipole Moment 10.01 ± 1.08 D
Volume 1030.96 Å 3
Surface Area 812.79 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
InChIKey JEFGHXXQQOIPKU-NCRNUEESSA-N
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