Geometry & MOs

Info

ID:	388140
PubChem CID:	134988305
Reduced:	O2C11H20 (1)
Stoich.:	A2B11C20 (1)
Weight, g/mol:	254.097666
ΔH_f, kcal/mol:	-113.43
Dipole, Da:	1.79
IP(EA), eV:	-9.65(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-benzylsulfanyl-4-hydroxybutyl) acetate

Drug info:

PubChemData

Smile

C/C=C/CCC(C(C)C)C(=O)OC

DOS

IR

Vibrations