Geometry & MOs

Info

ID:	382939
PubChem CID:	134974382
Reduced:	O5C24H28 (1)
Stoich.:	A5B24C28 (1)
Weight, g/mol:	436.264501
ΔH_f, kcal/mol:	-158.59
Dipole, Da:	4.47
IP(EA), eV:	-9.2(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E,5S,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]oct-2-enoate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](/C=C/[C@H]([C@H](CCC(=O)O1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O

DOS

IR

Vibrations