Geometry & MOs

Info

ID:	301979
PubChem CID:	123106564
Reduced:	SO5C17H24 (1)
Stoich.:	AB5C17D24 (1)
Weight, g/mol:	332.10823
ΔH_f, kcal/mol:	-209.35
Dipole, Da:	6.6
IP(EA), eV:	-8.88(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-(3-methylphenoxy)ethylsulfinylmethyl]benzoate

Drug info:

PubChemData

Smile

CC(C)CCOC(=O)C(C)S(=O)CC1=CC=C(C=C1)C(=O)OC

DOS

IR

Vibrations