Formula |
C42H53N5O5S |
IUPAC Name |
n3-[1-benzyl-3-[2-(1-benzyl-4-piperidyl)ethylamino]-2-hydroxy-propyl]-5-[methyl(methylsulfonyl)amino]-n1-(1-phenylethyl)benzene-1,3-dicarboxamide |
Molecular Mass |
739.966 g·mol−1 |
Heat of Formation |
-604.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.71 ± 1.08 D |
Volume |
916.07 Å 3 |
Surface Area |
746.9 Å 2 |
HOMO Energy |
-8.96 ± 0.55 eV |
LUMO Energy |
-0.85 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
IMNAYTZSJCRZIO-RLRCJDGOSA-N |
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Elements |
H
C
S
O
N
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