Geometry & MOs

Info

ID:	148310
PubChem CID:	53787972
Reduced:	ClO3H13C15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	450.215472
ΔH_f, kcal/mol:	-76.46
Dipole, Da:	4.1
IP(EA), eV:	-9.05(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[2-[1,3-dioxo-4-(pentanoylamino)isoindol-2-yl]ethyl]phenyl]pentanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(OC3=C(O2)C=CC(=C3)Cl)CCO

DOS

IR

Vibrations