Geometry & MOs

Info

ID:	394342
PubChem CID:	135022788
Reduced:	Cl4O9C18H18 (1)
Stoich.:	A4B9C18D18 (1)
Weight, g/mol:	526.278207
ΔH_f, kcal/mol:	-374.04
Dipole, Da:	4.93
IP(EA), eV:	-10.26(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)-6-methoxyoxan-3-yl] benzoate

Drug info:

PubChemData

Smile

CO[C@@H]1C(C([C@@H](C(O1)COC(=O)C2=CC=CC=C2)O)OC(=O)C(Cl)Cl)OC(=O)C(Cl)Cl

DOS

IR

Vibrations