Geometry & MOs

Info

ID:	81918
PubChem CID:	49855351
Reduced:	NO6C25H37 (1)
Stoich.:	AB6C25D37 (1)
Weight, g/mol:	450.280151
ΔH_f, kcal/mol:	-258.14
Dipole, Da:	3.34
IP(EA), eV:	-8.86(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R,5S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-2,5,6-trimethyloct-7-enoic acid

Drug info:

PubChemData

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C[C@H](C=C)[C@H](C)[C@H]([C@H]([C@H](C)C(=O)N1[C@H](COC1=O)C(C)C)O)OCC2=CC=C(C=C2)OC

DOS

IR

Vibrations