Geometry & MOs

Info

ID:	338052
PubChem CID:	127258683
Reduced:	NSO7C15H19 (1)
Stoich.:	ABC7D15E19 (1)
Weight, g/mol:	330.11371
ΔH_f, kcal/mol:	-278.79
Dipole, Da:	3.52
IP(EA), eV:	-9.75(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylphenyl)sulfonyloxybutyl 3-hydroxybutanoate

Drug info:

PubChemData

Smile

CC(CC(=O)OC(=O)[C@@H]1CC(CN1)OS(=O)(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations