Geometry & MOs

Info

ID:	398591
PubChem CID:	135034125
Reduced:	FO6H33C34 (1)
Stoich.:	AB6C33D34 (1)
Weight, g/mol:	624.308704
ΔH_f, kcal/mol:	-205.34
Dipole, Da:	2.3
IP(EA), eV:	-9.32(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,5R)-2-(3-methylbutoxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2[C@H]([C@@H]([C@@H](C(O2)F)OC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations