(6R,7R)-6-(4-Methoxyphenyl)-6,7-Dihydropyrrolo[2,1-D][1,5]Benzothiazepin-7-Ol

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Formula C19H17NO2S
IUPAC Name (6r,7r)-6-(4-methoxyphenyl)-6,7-dihydropyrrolo[2,1-d][1,5]benzothiazepin-7-ol
Molecular Mass 323.409 g·mol−1
Heat of Formation 5.2 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 372.44 Å 3
Surface Area 321.09 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(4-methoxyphenyl)pyrrolo(2,1-d)(1,5)benzothiazepin-7(6h)-ol
  • 6-mppbo
  • pyrrolo(2,1-d)(1,5)benzothiazepin-7-ol, 6,7-dihydro-6-(4-methoxyphenyl)-, cis-
CAS Number(s)
  • 131403-79-7
InChIKey BGBGSDYFNXHIKG-RTBURBONSA-N
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