Geometry & MOs

Info

ID:	402958
PubChem CID:	135058051
Reduced:	INSO5C19H20 (1)
Stoich.:	ABCD5E19F20 (1)
Weight, g/mol:	486.167853
ΔH_f, kcal/mol:	-146.17
Dipole, Da:	6.38
IP(EA), eV:	-9.78(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-2-[4-[1-(3,5-dihydroxyphenyl)-2-hydroxy-2-(4-methoxyphenyl)ethoxy]phenyl]ethenyl]benzene-1,3-diol

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]([C@H](C(=O)C1=CC=CC=C1)I)NS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations