Geometry & MOs

Info

ID:	338324
PubChem CID:	127259016
Reduced:	SO2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	226.066365
ΔH_f, kcal/mol:	-116.99
Dipole, Da:	5.16
IP(EA), eV:	-8.94(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylsulfanyl-2-phenoxyethyl) acetate

Drug info:

PubChemData

Smile

CCCCC#CCSC1=C(C=CC=C1S(=O)(=O)C)OC(=O)C

DOS

IR

Vibrations