Geometry & MOs

Info

ID:	265193
PubChem CID:	103513201
Reduced:	F2N3O3C7H7 (1)
Stoich.:	A2B3C3D7E7 (1)
Weight, g/mol:	283.026784
ΔH_f, kcal/mol:	-176.76
Dipole, Da:	3.96
IP(EA), eV:	-9.49(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,2-difluoroacetyl)amino]-5-(trifluoromethyl)benzoic acid

Drug info:

PubChemData

Smile

C1=C(C=NN1CC(=O)O)NC(=O)C(F)F

DOS

IR

Vibrations