Benzyl 4-{2-[{[4-(2-Aminoethoxy)Phenyl]Sulfonyl}(Methyl)Amino]-3-(4-Methoxyphenyl)Propyl}-1-Piperazinecarboxylate

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Formula C31H40N4O6S
IUPAC Name benzyl 4-[2-[[4-(2-aminoethoxy)phenyl]sulfonyl-methyl-amino]-3-(4-methoxyphenyl)propyl]piperazine-1-carboxylate
Molecular Mass 596.738 g·mol−1
Heat of Formation 5624.2 ± 16.7 kJ·mol−1
Dipole Moment 30.86 ± 1.08 D
Volume 636.62 Å 3
Surface Area 523.83 Å 2
HOMO Energy -6.46 ± 0.55 eV
LUMO Energy -3.93 ± eV
Point Group Symmetry C1
InChIKey JFROHKDWBGWDIE-MHZLTWQESA-N
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