Geometry & MOs

Info

ID:	201610
PubChem CID:	79562478
Reduced:	SCl2N2O3C13H18 (1)
Stoich.:	AB2C2D3E13F18 (1)
Weight, g/mol:	319.125358
ΔH_f, kcal/mol:	-130.15
Dipole, Da:	5.03
IP(EA), eV:	-9.44(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenoxy)-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)(CNCC(=O)NC1=C(C=CC=C1Cl)Cl)S(=O)(=O)C

DOS

IR

Vibrations