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

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Properties Simple | Detailed

Formula C15H11N6O6S2
IUPAC Name [4-[cyano-[(3-hydroxy-1-oxoammoniocarbonyl-prop-2-ynyl)disulfanyl]methyl]-3-nitro-phenyl]imino-imino-ammonium; prop-1-yn-1-ol
Molecular Mass 435.414 g·mol−1
Heat of Formation 1742.1 ± 16.7 kJ·mol−1
Dipole Moment 6.07 ± 1.08 D
Volume 381.71 Å 3
Surface Area 317.72 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -3.24 ± eV
Point Group Symmetry C1
InChIKey KFKQGWDRLYWEMY-NWDGAFQWSA-N
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