Geometry & MOs

Info

ID:	382663
PubChem CID:	134973949
Reduced:	O3C20H24 (1)
Stoich.:	A3B20C24 (1)
Weight, g/mol:	744.366219
ΔH_f, kcal/mol:	-81.57
Dipole, Da:	3.47
IP(EA), eV:	-9.24(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4,6-bis[(2S,4R,5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]benzene-1,3-diol

Drug info:

PubChemData

Smile

CC1[C@@H]([C@@H](CCO1)OCC2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations