(2S)-2-[6-(2,4-Dinitroanilino)Hexanoylamino]-3-(4-Hydroxyphenyl)Propanoic Acid

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Properties Simple | Detailed

Formula C21H24N4O8
IUPAC Name (2s)-2-[6-(2,4-dinitroanilino)hexanoylamino]-3-(4-hydroxyphenyl)propanoic acid
Molecular Mass 460.437 g·mol−1
Heat of Formation -756.2 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 525.51 Å 3
Surface Area 400.19 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
InChIKey OOGWQECJBCVSHQ-SFHVURJKSA-N
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