Formula |
C18H16N6O12S2 |
IUPAC Name |
(2r)-3-[[(2r)-2-carboxy-2-(2,4-dinitroanilino)ethyl]disulfanyl]-2-(2,4-dinitroanilino)propanoic acid |
Molecular Mass |
572.483 g·mol−1 |
Heat of Formation |
-621.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.63 ± 1.08 D |
Volume |
563.7 Å 3 |
Surface Area |
453.34 Å 2 |
HOMO Energy |
-9.85 ± 0.55 eV |
LUMO Energy |
0.83 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UMGXLEJJKAWCHT-OKILXGFUSA-N |
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Elements |
H
S
C
O
N
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