Geometry & MOs

Info

ID:	289696
PubChem CID:	104367945
Reduced:	SN2O2F3H5C9 (1)
Stoich.:	AB2C2D3E5F9 (1)
Weight, g/mol:	298.965521
ΔH_f, kcal/mol:	-164.73
Dipole, Da:	4.78
IP(EA), eV:	-9.85(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chloro-4-nitrophenoxy)thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(SC=C1N2C=C(C=N2)C(F)(F)F)C(=O)O

DOS

IR

Vibrations