Geometry & MOs

Info

ID:	303844
PubChem CID:	124490257
Reduced:	O6C19H24 (1)
Stoich.:	A6B19C24 (1)
Weight, g/mol:	348.157288
ΔH_f, kcal/mol:	-238.27
Dipole, Da:	2.9
IP(EA), eV:	-8.6(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[3-[3-[(2R)-2,3-dihydroxypropyl]-4-methoxyphenyl]-4-hydroxyphenyl]propane-1,2-diol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=C(C=CC(=C2)C[C@@H](CO)O)O)C[C@@H](CO)O

DOS

IR

Vibrations