Geometry & MOs

Info

ID:	405936
PubChem CID:	135076034
Reduced:	SiO2F3C26H27 (1)
Stoich.:	AB2C3D26E27 (1)
Weight, g/mol:	324.083158
ΔH_f, kcal/mol:	-201.78
Dipole, Da:	3.46
IP(EA), eV:	-9.13(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S)-3-fluoro-2-hydroxy-3-phenylpropyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H](O3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations