Geometry & MOs

Info

ID:	301970
PubChem CID:	123106042
Reduced:	BrOSH17C20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	335.074678
ΔH_f, kcal/mol:	44.77
Dipole, Da:	4.62
IP(EA), eV:	-8.62(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chlorophenyl)methylsulfinyl]-N-(2-ethylphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC3=CC=C(C=C3)Br

DOS

IR

Vibrations