Geometry & MOs

Info

ID:	437405
PubChem CID:	135226214
Reduced:	FNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	274.087495
ΔH_f, kcal/mol:	-135.95
Dipole, Da:	4.51
IP(EA), eV:	-9.97(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-hydroxy-4-methoxybutyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

COCC[C@@H]1C[C@@H]([C@@H](O1)C2=CC(=NC=C2)F)C=O

DOS

IR

Vibrations