Geometry & MOs

Info

ID:	377843
PubChem CID:	134223908
Reduced:	OSN3H21C32 (1)
Stoich.:	ABC3D21E32 (1)
Weight, g/mol:	639.169057
ΔH_f, kcal/mol:	139.41
Dipole, Da:	4.11
IP(EA), eV:	-8.58(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-dibenzothiophen-4-yl-2-phenylmethoxyphenyl)-6-(7-methyldibenzothiophen-4-yl)pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=NC4=C(C=CC5=C4N=CC=C5)C=C3)C6=NC7=CC=CC=C7S6

DOS

IR

Vibrations