Geometry & MOs

Info

ID:	262395
PubChem CID:	103290329
Reduced:	ClNOSC15H24 (1)
Stoich.:	ABCDE15F24 (1)
Weight, g/mol:	274.043043
ΔH_f, kcal/mol:	-41.72
Dipole, Da:	3.11
IP(EA), eV:	-8.47(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chlorophenyl)methylsulfanyl]-2-ethoxypropanoic acid

Drug info:

PubChemData

Smile

CCCNC(CC)C(C)S(=O)CC1=CC=CC=C1Cl

DOS

IR

Vibrations