Geometry & MOs

Info

ID:	268846
PubChem CID:	103601213
Reduced:	NOH3F4C8 (1)
Stoich.:	ABC3D4E8 (1)
Weight, g/mol:	235.982942
ΔH_f, kcal/mol:	-151.65
Dipole, Da:	3.25
IP(EA), eV:	-10.22(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dichloro-5-(2-methylsulfanylethoxy)benzene

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=C1F)F)OCC#N)F)F

DOS

IR

Vibrations