Formula |
C11H20N5O2S2 |
IUPAC Name |
(z)-n1-methyl-n1'-[2-[[2-(methylaminomethyl)-5h-thiazol-3-ium-5-id-4-yl]methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine |
Molecular Mass |
318.439 g·mol−1 |
Heat of Formation |
101.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
11.28 ± 1.08 D |
Volume |
375.02 Å 3 |
Surface Area |
320.7 Å 2 |
HOMO Energy |
-8.92 ± 0.55 eV |
LUMO Energy |
-0.93 ± eV |
Point Group Symmetry |
C1
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InChIKey |
BNGJKPNCTSRHSF-POHAHGRESA-N |
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Elements |
H
S
C
O
N
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