3-{[2-Amino-1-(4-Azido-2-Nitrophenyl)Ethyl]Disulfanyl}-1-(Propionyloxy)-2,5-Pyrrolidinedione

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Properties Simple | Detailed

Formula C15H16N6O6S2
IUPAC Name [(3s)-3-[[(1s)-2-amino-1-(4-azido-2-nitro-phenyl)ethyl]disulfanyl]-2,5-dioxo-pyrrolidin-1-yl] propanoate
Molecular Mass 440.454 g·mol−1
Heat of Formation 1729.4 ± 16.7 kJ·mol−1
Dipole Moment 6.84 ± 1.08 D
Volume 410.92 Å 3
Surface Area 334.91 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -3.31 ± eV
Point Group Symmetry C1
InChIKey KFKQGWDRLYWEMY-RYUDHWBXSA-N
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