Formula |
C18H19ClN4O3S |
IUPAC Name |
4-[3-chloro-2-[[(s)-(5-methoxybenzimidazol-3-ium-2-ylium-2-yl)sulfinyl]methyl]-4-pyridyl]morpholine |
Molecular Mass |
406.886 g·mol−1 |
Heat of Formation |
-122.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.04 ± 1.08 D |
Volume |
442.9 Å 3 |
Surface Area |
388.41 Å 2 |
HOMO Energy |
-8.64 ± 0.55 eV |
LUMO Energy |
-0.69 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
OGHHMBMLUJWHGH-MHZLTWQESA-N |
QR Code |
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Links |
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Downloads |
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Elements |
C
Cl
H
O
N
S
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