Geometry & MOs

Info

ID:	302016
PubChem CID:	123110070
Reduced:	SO3C13H18 (1)
Stoich.:	AB3C13D18 (1)
Weight, g/mol:	362.118795
ΔH_f, kcal/mol:	-107.52
Dipole, Da:	2.05
IP(EA), eV:	-8.57(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-(2-ethoxyphenoxy)ethylsulfinylmethyl]benzoate

Drug info:

PubChemData

Smile

CCCCS(=O)CC1=CC(=CC=C1)C(=O)OC

DOS

IR

Vibrations