Ethyl 1-{(2S,3S)-3-[(3-{[(1R)-1-(4-Fluorophenyl)Ethyl]Carbamoyl}-5-[Methyl(Methylsulfonyl)Amino]Benzoyl)Amino]-2-Hydroxy-4-Phenylbutyl}-1H-Pyrazole-4-Carboxylate

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Formula C34H38FN5O7S
IUPAC Name ethyl 1-[(2s,3s)-3-[[3-[[(1r)-1-(4-fluorophenyl)ethyl]carbamoyl]-5-[methyl(methylsulfonyl)amino]benzoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrazol-1-ium-2-ide-4-carboxylate
Molecular Mass 679.758 g·mol−1
Heat of Formation -1061.7 ± 16.7 kJ·mol−1
Dipole Moment 6.24 ± 1.08 D
Volume 811.87 Å 3
Surface Area 631.86 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry C1
InChIKey MTFQLBNDNYIGHD-OJXBSAKDSA-N
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