2-[[(2S)-2-[[(2R)-3-(4-Hydroxyphenyl)-2-(2,4,6-Trinitroanilino)Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]Acetic Acid

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Formula C22H24N6O11
IUPAC Name 2-[[(2s)-2-[[(2r)-3-(4-hydroxyphenyl)-2-(2,4,6-trinitroanilino)propanoyl]amino]-3-methyl-butanoyl]amino]acetic acid
Molecular Mass 548.460 g·mol−1
Heat of Formation -869.6 ± 16.7 kJ·mol−1
Dipole Moment 5.57 ± 1.08 D
Volume 606.72 Å 3
Surface Area 451.56 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -2.20 ± eV
Point Group Symmetry C1
InChIKey FJEMBZRPTMKVSO-BEFAXECRSA-N
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