Geometry & MOs

Info

ID:	246049
PubChem CID:	103038819
Reduced:	ClFON2C15H18 (1)
Stoich.:	ABCD2E15F18 (1)
Weight, g/mol:	314.03437
ΔH_f, kcal/mol:	-49.55
Dipole, Da:	2.93
IP(EA), eV:	-8.78(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNCC1=CN(C=C1)CC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations