Geometry & MOs

Info

ID:	394171
PubChem CID:	135022448
Reduced:	SO4C33H34 (1)
Stoich.:	AB4C33D34 (1)
Weight, g/mol:	434.209324
ΔH_f, kcal/mol:	-67.28
Dipole, Da:	1.42
IP(EA), eV:	-9.1(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R,5S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

Drug info:

PubChemData

Smile

C1[C@H]([C@H](C(O[C@@H]1SC2=CC=CC=C2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations