Geometry & MOs

Info

ID:	413123
PubChem CID:	135086067
Reduced:	OSF3H9C14 (1)
Stoich.:	ABC3D9E14 (1)
Weight, g/mol:	334.141638
ΔH_f, kcal/mol:	-124.82
Dipole, Da:	3.66
IP(EA), eV:	-9.36(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)propane-1,3-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)/C=C(\C2=CC=CS2)/C(F)(F)F

DOS

IR

Vibrations