Formula |
C27H31NO4S |
IUPAC Name |
[(2r)-1-[[4-[[3-(benzenesulfonylmethyl)-5-methyl-phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol |
Molecular Mass |
465.604 g·mol−1 |
Heat of Formation |
4.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.31 ± 1.08 D |
Volume |
561.92 Å 3 |
Surface Area |
488.7 Å 2 |
HOMO Energy |
-8.89 ± 0.55 eV |
LUMO Energy |
-0.92 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
NPUXORBZRBIOMQ-RUZDIDTESA-N |
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Elements |
H
S
C
O
N
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