Geometry & MOs

Info

ID:	226081
PubChem CID:	87322640
Reduced:	Cl2F5N5H12C17 (1)
Stoich.:	A2B5C5D12E17 (1)
Weight, g/mol:	443.205636
ΔH_f, kcal/mol:	-133.93
Dipole, Da:	8.41
IP(EA), eV:	-9.16(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[2-amino-1-[2-(4-methoxyphenyl)ethylamino]-1,3-dioxobutan-2-yl]amino]phenoxy]butanoic acid

Drug info:

PubChemData

Smile

CN(C)C=NC1=C(C(=NN1C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)C#N)C(=C)C(F)F

DOS

IR

Vibrations