Geometry & MOs

Info

ID:	19388
PubChem CID:	562873
Reduced:	ClSO4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	276.022308
ΔH_f, kcal/mol:	-161.42
Dipole, Da:	5.91
IP(EA), eV:	-10.34(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chloro-3-(4-methylphenyl)sulfonylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CC(C(=O)OC)Cl

DOS

IR

Vibrations