Geometry & MOs

Info

ID:	18775
PubChem CID:	547830
Reduced:	SCl2O4C10H10 (1)
Stoich.:	AB2C4D10E10 (1)
Weight, g/mol:	295.967685
ΔH_f, kcal/mol:	-160.34
Dipole, Da:	3.72
IP(EA), eV:	-10.06(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3,4-dichlorophenyl)sulfonylpropanoate

Drug info:

PubChemData

Smile

COC(=O)CCS(=O)(=O)C1=CC(=C(C=C1)Cl)Cl

DOS

IR

Vibrations