(2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-2-Oxo-1-[(2,4,6-Trinitrocyclohexa-2,5-Dien-1-Yl)Sulfanylmethyl]Ethyl]Amino]-5-Oxo-Pentanoic Acid

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Formula C16H20N6O12S
IUPAC Name (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-2-oxo-1-[(2,4,6-trinitrocyclohexa-2,5-dien-1-yl)sulfanylmethyl]ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 520.428 g·mol−1
Heat of Formation -1084.3 ± 16.7 kJ·mol−1
Dipole Moment 2.15 ± 1.08 D
Volume 550.84 Å 3
Surface Area 460.82 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -2.10 ± eV
Point Group Symmetry C1
InChIKey WYVWMICYGAENOV-FMCOEWMSSA-N
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