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-[(2s)-2-[[4-(2-aminoethoxy)phenyl]sulfonyl-methyl-amino]-3-(4-methoxyphenyl)propyl]piperazine-1-carboxylate
Molecular Mass 596.737 g·mol−1
Heat of Formation -758.8 ± 16.7 kJ·mol−1
Dipole Moment 5.67 ± 1.08 D
Volume 720.7 Å 3
Surface Area 538.24 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
InChIKey JFROHKDWBGWDIE-HHHXNRCGSA-N
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