Geometry & MOs

Info

ID:	200830
PubChem CID:	79449694
Reduced:	ClSO2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	304.114458
ΔH_f, kcal/mol:	-59.22
Dipole, Da:	1.98
IP(EA), eV:	-9.34(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethylsulfonylpropyl)-2-(3-fluorophenyl)propane-1,3-diol

Drug info:

PubChemData

Smile

C1=CSC(=C1)CC(CO)(CO)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations