L-γ-Glutamyl-S-(2,4,6-Trinitro-2,5-Cyclohexadien-1-Yl)-L-Cysteinylglycine

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Properties Simple | Detailed

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 -1022.9 ± 16.7 kJ·mol−1
Dipole Moment 12.11 ± 1.08 D
Volume 566.06 Å 3
Surface Area 426.97 Å 2
HOMO Energy -10.09 ± 0.55 eV
LUMO Energy -2.56 ± eV
Point Group Symmetry C1
InChIKey VQUXYLXGOSJDJJ-FMCOEWMSSA-N
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