Geometry & MOs

Info

ID:	9692
PubChem CID:	92395
Reduced:	ClNF3O7H9C16 (1)
Stoich.:	ABC3D7E9F16 (1)
Weight, g/mol:	419.001964
ΔH_f, kcal/mol:	-315.21
Dipole, Da:	5.93
IP(EA), eV:	-10.54(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl]oxyacetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)O

DOS

IR

Vibrations