Geometry & MOs

Info

ID:	221296
PubChem CID:	85267529
Reduced:	O6H20C23 (1)
Stoich.:	A6B20C23 (1)
Weight, g/mol:	392.158351
ΔH_f, kcal/mol:	-173.49
Dipole, Da:	8.4
IP(EA), eV:	-8.89(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxoisoindol-2-yl)oxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C=CC(=C2OCC3=CC=CC=C3)C=C(CC(=O)O)C(=O)O

DOS

IR

Vibrations