5-[(7-Methyl-1,4-Diazepan-1-Yl)Sulfonyl]Isoquinoline

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Properties Simple | Detailed

Formula C15H19N3O2S
IUPAC Name 5-[[(1s,7r)-7-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline
Molecular Mass 305.395 g·mol−1
Heat of Formation -135.6 ± 16.7 kJ·mol−1
Dipole Moment 2.98 ± 1.08 D
Volume 352.46 Å 3
Surface Area 280.13 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
InChIKey OCLSLNOZIMMUIC-GFCCVEGCSA-N
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