Geometry & MOs

Info

ID:	405352
PubChem CID:	135073579
Reduced:	SO2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	276.076199
ΔH_f, kcal/mol:	10.82
Dipole, Da:	3.64
IP(EA), eV:	-8.49(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-2-[2-[3-(trifluoromethyl)phenyl]ethynyl]benzene

Drug info:

PubChemData

Smile

CCOC(C)OC1=CC=CC=C1C#CC2=CC=CS2

DOS

IR

Vibrations