Geometry & MOs

Info

ID:	146592
PubChem CID:	53711179
Reduced:	OF2H9C10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	218.022393
ΔH_f, kcal/mol:	-248.01
Dipole, Da:	6.33
IP(EA), eV:	-9.37(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylsulfanylbenzenethiol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)OC(=O)C2=C(C=C(C=C2F)C3CCCCC3)F)F

DOS

IR

Vibrations