Geometry & MOs

Info

ID:	26850
PubChem CID:	799916
Reduced:	SO2F3H9C16 (1)
Stoich.:	AB2C3D9E16 (1)
Weight, g/mol:	348.100748
ΔH_f, kcal/mol:	-186.75
Dipole, Da:	7.29
IP(EA), eV:	-8.83(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2,4-dichlorophenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

C1[C@@H](SC2=C1C3=C(C=CC4=CC=CC=C43)OC2=O)C(F)(F)F

DOS

IR

Vibrations