Formula |
C19H27ClN4S3 |
IUPAC Name |
1-(1-adamantyl)-3-[2-[(6-chloro-2,3-dihydroimidazo[2,1-b]thiazol-5-yl)methylsulfanyl]ethyl]thiourea |
Molecular Mass |
443.092 g·mol−1 |
Heat of Formation |
110.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.30 ± 1.08 D |
Volume |
507.29 Å 3 |
Surface Area |
391.31 Å 2 |
HOMO Energy |
-8.38 ± 0.55 eV |
LUMO Energy |
-0.52 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DXCMEIDZDUPBLP-KRFSREQESA-N |
QR Code |
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Links |
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Elements |
H
S
N
C
Cl
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