Geometry & MOs

Info

ID:	246050
PubChem CID:	103039621
Reduced:	ClOSF2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	314.03437
ΔH_f, kcal/mol:	-109.48
Dipole, Da:	5.21
IP(EA), eV:	-9.06(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)F)SCC(CC2=CC(=C(C=C2)F)Cl)O

DOS

IR

Vibrations