Geometry & MOs

Info

ID:	383866
PubChem CID:	134975887
Reduced:	SO2Cl3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	261.993027
ΔH_f, kcal/mol:	-86.73
Dipole, Da:	5.61
IP(EA), eV:	-10.41(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 4,4,4-trichloro-3-methylbutanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)CCC(Cl)(Cl)Cl

DOS

IR

Vibrations