Geometry & MOs

Info

ID:	338049
PubChem CID:	127258680
Reduced:	O4C13H18 (1)
Stoich.:	A4B13C18 (1)
Weight, g/mol:	254.082409
ΔH_f, kcal/mol:	-174.64
Dipole, Da:	2.24
IP(EA), eV:	-8.85(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfonyloxybutyl 3-hydroxybutanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCOC(=O)CC(C)O

DOS

IR

Vibrations