1-Adamantan-1-Yl-3-(2-{[(6-Chloro-2,3-Dihydroimidazo[2,1-B][1,3]Thiazol-5-Yl)Methyl]Sulfonyl}Ethyl)Thiourea

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Properties Simple | Detailed

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
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Elements C Cl H O N S