4-(2-((5-Isoquinolinylsulfonyl)Amino)-3-(4-Phenyl-1-Piperazinyl)Propyl)Phenyl 5-Isoquinolinesulfonate

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Formula C37H39N5O5S2
IUPAC Name [4-[2-(isoquinolin-5-ylsulfonylamino)-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate
Molecular Mass 697.866 g·mol−1
Heat of Formation -185.0 ± 16.7 kJ·mol−1
Dipole Moment 8.51 ± 1.08 D
Volume 788.29 Å 3
Surface Area 576.01 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
InChIKey IWWLVIDLFHBQER-HKBQPEDESA-N
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