Geometry & MOs

Info

ID:	284731
PubChem CID:	104065709
Reduced:	ClSO3C11H13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	274.043043
ΔH_f, kcal/mol:	-115.19
Dipole, Da:	7.89
IP(EA), eV:	-9.14(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-(3-ethoxypropylsulfanyl)benzoic acid

Drug info:

PubChemData

Smile

COCCCSC1=CC(=C(C=C1)Cl)C(=O)O

DOS

IR

Vibrations