Geometry & MOs

Info

ID:	134251
PubChem CID:	51669365
Reduced:	SF2O4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	155.074642
ΔH_f, kcal/mol:	-231.07
Dipole, Da:	4.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758698
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-2-(4-fluorophenyl)ethanol

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=S)[O-])O)C)O)F)C)F

DOS

IR

Vibrations