Geometry & MOs

Info

ID:	293417
PubChem CID:	117388239
Reduced:	F2N2O3H8C11 (1)
Stoich.:	A2B2C3D8E11 (1)
Weight, g/mol:	254.042653
ΔH_f, kcal/mol:	-129.62
Dipole, Da:	4.67
IP(EA), eV:	-8.96(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-ethoxy-2-oxoacetyl)-2,4-dihydroxybenzoic acid

Drug info:

PubChemData

Smile

CN1/C(=C/2\C=C(C(=CC2=O)F)F)/C=C(N1)C(=O)O

DOS

IR

Vibrations