Geometry & MOs

Info

ID:	326481
PubChem CID:	126687648
Reduced:	OSBr2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	254.076536
ΔH_f, kcal/mol:	1.94
Dipole, Da:	5.29
IP(EA), eV:	-8.44(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-[2-(4-methylsulfanylphenyl)ethynyl]benzene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C(C2=CC=C(C=C2)SC)Br)Br

DOS

IR

Vibrations