Formula |
C16H32N4O2S2++ |
IUPAC Name |
1-[(3s)-3-[[(2r)-4-acetyl-1,1-dimethyl-piperazin-1-ium-2-yl]disulfanyl]-4,4-dimethyl-piperazin-4-ium-1-yl]ethanone |
Molecular Mass |
376.581 g·mol−1 |
Heat of Formation |
3063.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.71 ± 1.08 D |
Volume |
379.44 Å 3 |
Surface Area |
333.32 Å 2 |
HOMO Energy |
-8.89 ± 0.55 eV |
LUMO Energy |
-2.20 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
GZTBUOYDBNSQIK-IYBDPMFKSA-N |
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Elements |
C
S
O
N
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