Geometry & MOs

Info

ID:	396640
PubChem CID:	135028974
Reduced:	O6C11H14 (2)
Stoich.:	A6B11C14 (2)
Weight, g/mol:	628.267233
ΔH_f, kcal/mol:	-510.34
Dipole, Da:	1.57
IP(EA), eV:	-9.14(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5R)-2-(4-hydroxy-2,6-dimethoxyphenyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C(C([C@@H](O1)C2=C(C=C(C=C2OC)O)OC)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations