Formula |
C16H20N6O12S |
IUPAC Name |
carbon dioxide; (z)-3-cyanoprop-2-ynoyl-[2-methylidyneammonio-2-oxo-1-[[(5s)-2,4,6-trinitro-3-bicyclo[3.1.0]hex-3-enyl]sulfanylmethyl]ethylidene]ammonium |
Molecular Mass |
520.428 g·mol−1 |
Heat of Formation |
481.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.55 ± 1.08 D |
Volume |
505.35 Å 3 |
Surface Area |
431.99 Å 2 |
HOMO Energy |
-10.49 ± 0.55 eV |
LUMO Energy |
-3.56 ± eV |
Point Group Symmetry |
C1
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InChIKey |
VQUXYLXGOSJDJJ-OSGJSWLFSA-N |
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Elements |
S
C
O
N
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