(11S)-8-Chloro-11-[1-(Methylsulfonyl)Piperidin-4-Yl]-6-Piperazin-1-Yl-11H-Benzo[5,6]Cyclohepta[1,2-B]Pyridine

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Properties Simple | Detailed

Formula C24H29ClN4O2S
IUPAC Name (11s)-8-chloro-11-(1-methylsulfonyl-4-piperidyl)-6-piperazin-1-yl-11h-benzo[1,2]cyclohepta[2,4-b]pyridine
Molecular Mass 473.031 g·mol−1
Heat of Formation -108.4 ± 16.7 kJ·mol−1
Dipole Moment 5.54 ± 1.08 D
Volume 544.5 Å 3
Surface Area 423.89 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
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InChIKey ZMGCFGGMTCMSDP-QHCPKHFHSA-N
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