Geometry & MOs

Info

ID:	44774
PubChem CID:	10505881
Reduced:	SSiO5C27H46 (1)
Stoich.:	ABC5D27E46 (1)
Weight, g/mol:	510.283292
ΔH_f, kcal/mol:	-260.0
Dipole, Da:	1.08
IP(EA), eV:	-8.7(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z,2S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-6-(2-trimethylsilylethoxymethoxy)hept-4-enyl] benzoate

Drug info:

PubChemData

Smile

CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[Si](C(C)C)(C(C)C)C(C)C)OCC=C)O)OCC2=CC=CC=C2

DOS

IR

Vibrations