2-[(2,2-Dichloro-1-Hydroxyethyl)Amino]-3-Hydroxy-1-(4-Nitrophenyl)Propyl Hydrogen {4-[(Trifluoroacetyl)Amino]Benzyl}Phosphonate

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Formula C20H21Cl2F3N3O8P
IUPAC Name [(1r,2r)-2-[[(1s)-2,2-dichloro-1-hydroxy-ethyl]amino]-3-hydroxy-1-(4-nitrophenyl)propoxy]-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phosphinic acid
Molecular Mass 590.271 g·mol−1
Heat of Formation -1902.8 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 611.27 Å 3
Surface Area 485.66 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
InChIKey PXDSVFRUDNCBRZ-NUJGCVRESA-N
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Elements C F H Cl O N P