Geometry & MOs

Info

ID:	139739
PubChem CID:	52587098
Reduced:	NSCl2O2C13H17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	291.109314
ΔH_f, kcal/mol:	-86.11
Dipole, Da:	5.29
IP(EA), eV:	-9.49(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(4-fluorophenyl)-2-[(4-methylsulfanylphenyl)methylamino]ethanol

Drug info:

PubChemData

Smile

CC[C@@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations