Geometry & MOs

Info

ID:	262401
PubChem CID:	103291125
Reduced:	ClSO3C11H13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	326.0202
ΔH_f, kcal/mol:	-120.97
Dipole, Da:	2.78
IP(EA), eV:	-9.46(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methylsulfinyl]-1-(2,5-dimethylthiophen-3-yl)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations