Formula |
C14H23N6O3S+ |
IUPAC Name |
(e)-[5-cyano-3-[1-[2-[2-cyanoethynyl(methylene)-λ4-sulfanyl]ethynoxy]-2-oxo-vinyl]-2h-imidazol-4-ylidene]cyanamide; formaldehyde |
Molecular Mass |
355.436 g·mol−1 |
Heat of Formation |
1541.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.91 ± 1.08 D |
Volume |
374.32 Å 3 |
Surface Area |
334.06 Å 2 |
HOMO Energy |
-9.68 ± 0.55 eV |
LUMO Energy |
-3.21 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZUNBITIXDCPNSD-YHKGNIKMSA-O |
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Elements |
S
C
O
N
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