Geometry & MOs

Info

ID:	22301
PubChem CID:	596563
Reduced:	SO3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	266.097666
ΔH_f, kcal/mol:	-118.46
Dipole, Da:	3.36
IP(EA), eV:	-8.97(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-2-oxo-3-phenylsulfanylpentyl) acetate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)COC(=O)C)SC1=CC=CC=C1

DOS

IR

Vibrations