Chloro-3,4,5,6-Tetrahydro-6-((1-Isopropyl-2-Imidazolin-2-Yl)Methyl)-2H-1,6-Benzothiazocine

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Properties Simple | Detailed

Formula C17H24ClN3S
IUPAC Name (6r)-8-chloro-6-[(1-isopropyl-4,5-dihydroimidazol-2-yl)methyl]-2,3,4,5-tetrahydro-1,6-benzothiazocine
Molecular Mass 337.911 g·mol−1
Heat of Formation 110.6 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 410.9 Å 3
Surface Area 321.73 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • 8-chloro-3,4,5,6-tetrahydro-6-((1-isopropyl-2-imidazolin-2-yl)methyl)-2h-1,6-benzothiazocine
  • 8-chloro-6-[(1-isopropyl-4,5-dihydroimidazol-2-yl)methyl]-2,3,4,5-tetrahydro-1,6-benzothiazocine
  • 8-chloro-6-[(1-propan-2-yl-4,5-dihydroimidazol-2-yl)methyl]-2,3,4,5-tetrahydro-1,6-benzothiazocine
  • dazolicine
  • ucb-b-192
CAS Number(s)
  • 61477-97-2
InChIKey RZAGBWYFAWQKAE-UHFFFAOYSA-N
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Elements H S N C Cl