Geometry & MOs

Info

ID:	205140
PubChem CID:	80059900
Reduced:	FSO3H13C15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	243.109314
ΔH_f, kcal/mol:	-115.49
Dipole, Da:	5.5
IP(EA), eV:	-8.89(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(ethylamino)-4-(3-fluorophenyl)sulfanylbutan-1-ol

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2O1)CS(=O)(=O)C3=CC=CC(=C3)F

DOS

IR

Vibrations