Geometry & MOs

Info

ID:	338325
PubChem CID:	127259017
Reduced:	SO3C11H14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	294.128966
ΔH_f, kcal/mol:	-109.79
Dipole, Da:	1.93
IP(EA), eV:	-8.97(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-methylsulfanyl-2-[(E)-1-phenylpent-1-enoxy]ethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC(COC1=CC=CC=C1)SC

DOS

IR

Vibrations