Geometry & MOs

Info

ID:	403304
PubChem CID:	135059621
Reduced:	BrOSN3H14C16 (1)
Stoich.:	ABCD3E14F16 (1)
Weight, g/mol:	472.152203
ΔH_f, kcal/mol:	71.72
Dipole, Da:	8.53
IP(EA), eV:	-9.22(-0.83)
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-hydroxyphenyl)ethoxy]phenyl]ethenyl]benzene-1,3-diol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(N=NN2CSC3=CC=CC=C3)Br

DOS

IR

Vibrations