Geometry & MOs

Info

ID:	378124
PubChem CID:	134224197
Reduced:	OC16H16 (1)
Stoich.:	AB16C16 (1)
Weight, g/mol:	452.055083
ΔH_f, kcal/mol:	8.6
Dipole, Da:	1.59
IP(EA), eV:	-9.01(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[C-[2-chloro-6-(trifluoromethyl)phenoxy]carbonimidoyl]anilino]-3-fluorobenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC(=C)C2=CC=CC=C2C

DOS

IR

Vibrations