Formula |
C19H27ClN4O2S3 |
IUPAC Name |
1-(1-adamantyl)-3-[2-[(6-chloro-2,3-dihydroimidazo[2,1-b]thiazol-4-ium-5-ylium-5-yl)methylsulfonyl]ethyl]thiourea |
Molecular Mass |
475.091 g·mol−1 |
Heat of Formation |
-245.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.35 ± 1.08 D |
Volume |
527.63 Å 3 |
Surface Area |
401.61 Å 2 |
HOMO Energy |
-8.24 ± 0.55 eV |
LUMO Energy |
-0.87 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
YBCXVHVSQHMPBN-KRFSREQESA-N |
QR Code |
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Links |
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Elements |
C
Cl
H
O
N
S
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