Geometry & MOs

Info

ID:	50087
PubChem CID:	12012590
Reduced:	NS2O6C17H19 (1)
Stoich.:	AB2C6D17E19 (1)
Weight, g/mol:	386.03063
ΔH_f, kcal/mol:	-163.33
Dipole, Da:	8.11
IP(EA), eV:	-9.2(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]benzene

Drug info:

PubChemData

Smile

C/C(=N\OCCS(=O)(=O)C1=CC=CC=C1)/C2=CC=C(C=C2)OS(=O)(=O)C

DOS

IR

Vibrations