Geometry & MOs

Info

ID:	297188
PubChem CID:	117612201
Reduced:	SN4O7C12H20 (1)
Stoich.:	AB4C7D12E20 (1)
Weight, g/mol:	594.97165
ΔH_f, kcal/mol:	-190.74
Dipole, Da:	1.87
IP(EA), eV:	-9.62(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(2-propoxyethyl)propanamide

Drug info:

PubChemData

Smile

C1C[C@H](N2C[C@H]1N(C2=O)OS(=O)(=O)O)C(=O)NOCC(C3CC3)N

DOS

IR

Vibrations