Tcmdc-134674

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Formula C38H52N4O6S
IUPAC Name n1-[(1s,2r)-1-benzyl-2-hydroxy-3-[[1-(3-methoxyphenyl)-1-methyl-ethyl]amino]propyl]-5-[(2r)-1,1-dioxothiazinan-2-yl]-n3,n3-dipropyl-benzene-1,3-dicarboxamide
Molecular Mass 692.908 g·mol−1
Heat of Formation -949.5 ± 16.7 kJ·mol−1
Dipole Moment 7.32 ± 1.08 D
Volume 868.39 Å 3
Surface Area 674.49 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey KCQAMDDVQXZDMS-OIDHKYIRSA-N
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