Geometry & MOs

Info

ID:	232291
PubChem CID:	87575896
Reduced:	FNCl2O2H20C23 (1)
Stoich.:	ABC2D2E20F23 (1)
Weight, g/mol:	818.222921
ΔH_f, kcal/mol:	-68.17
Dipole, Da:	3.87
IP(EA), eV:	-9.01(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[2-(2-carboxyoxy-5-nitrophenyl)-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] propanedioate

Drug info:

PubChemData

Smile

CC(C)OC1=CC(=C(C=C1)F)C2=CC=C(C=C2)C(C=O)(C3=CC(=C(C=C3)Cl)Cl)N

DOS

IR

Vibrations