Geometry & MOs

Info

ID:	301886
PubChem CID:	123099348
Reduced:	SN2O5C23H24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	331.124215
ΔH_f, kcal/mol:	-113.94
Dipole, Da:	0.67
IP(EA), eV:	-8.37(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-dimethylphenyl)methylsulfinyl]-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CN1C=C(C(=O)C=C1CS(=O)CC(=O)NC2=CC=C(C=C2)OC)OCC3=CC=CC=C3

DOS

IR

Vibrations