Formula |
C18H16N6O12S2 |
IUPAC Name |
carbon dioxide; n-[2-[2-(2,4-dinitroanilino)ethynyldisulfanyl]ethynyl]-2,4-dinitro-aniline |
Molecular Mass |
574.475 g·mol−1 |
Heat of Formation |
1635.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.99 ± 1.08 D |
Volume |
541.84 Å 3 |
Surface Area |
478.56 Å 2 |
HOMO Energy |
-9.12 ± 0.55 eV |
LUMO Energy |
-4.52 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UMGXLEJJKAWCHT-ZIAGYGMSSA-N |
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Elements |
S
C
O
N
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