Geometry & MOs

Info

ID:	151135
PubChem CID:	53790833
Reduced:	ClN2O2H11C12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	503.245392
ΔH_f, kcal/mol:	-19.7
Dipole, Da:	3.54
IP(EA), eV:	-9.26(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[6-[[amino(phenyl)methylidene]amino]hexoxy]phenyl]-2-(butylsulfonylamino)propanoic acid

Drug info:

PubChemData

Smile

C1COC(O1)C2=CC(=CC(=C2)Cl)N3C=CC=N3

DOS

IR

Vibrations