Geometry & MOs

Info

ID:	333986
PubChem CID:	127252538
Reduced:	ClN3O5C26H26 (1)
Stoich.:	AB3C5D26E26 (1)
Weight, g/mol:	340.058303
ΔH_f, kcal/mol:	-128.2
Dipole, Da:	6.44
IP(EA), eV:	-8.87(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[7-(carboxymethyl)furo[2,3-f][1,3]benzodioxol-6-yl]benzoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCCC4=NC5=CC=CC=C5N4

DOS

IR

Vibrations