Geometry & MOs

Info

ID:	60157
PubChem CID:	26675801
Reduced:	ISN2O3C17H17 (1)
Stoich.:	ABC2D3E17F17 (1)
Weight, g/mol:	430.96883
ΔH_f, kcal/mol:	-42.69
Dipole, Da:	1.76
IP(EA), eV:	-9.39(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-iodophenoxy)-N-(2-methylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)COC2=CC(=CC=C2)I)C(=O)C3=CC=CS3

DOS

IR

Vibrations