{4-[(2R,4S,5R,6R)-2-[4-(Aminomethyl)Phenyl]-6-{[(4,5-Diphenyl-1,3-Oxazol-2-Yl)Sulfanyl]Methyl}-5-Phenyl-1,3-Dioxan-4-Yl]Phenyl}Methanol

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Formula C40H37N2O4S
IUPAC Name [4-[(2r,4s,5r,6r)-2-[4-(aminomethyl)phenyl]-6-[(4,5-diphenyloxazol-3-ium-5-id-2-yl)sulfanylmethyl]-5-phenyl-1,3-dioxan-4-yl]phenyl]methanol
Molecular Mass 641.798 g·mol−1
Heat of Formation -52.3 ± 16.7 kJ·mol−1
Dipole Moment 3.63 ± 1.08 D
Volume 772.35 Å 3
Surface Area 571.98 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
InChIKey SXPUZKZLGVDJCU-KPJXUMIYSA-N
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