Geometry & MOs

Info

ID:	32893
PubChem CID:	7849203
Reduced:	ClSO5C17H17 (1)
Stoich.:	ABC5D17E17 (1)
Weight, g/mol:	348.103145
ΔH_f, kcal/mol:	-180.44
Dipole, Da:	6.0
IP(EA), eV:	-8.92(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenoxy)ethyl 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCCOC2=CC=C(C=C2)Cl

DOS

IR

Vibrations