Geometry & MOs

Info

ID:	378218
PubChem CID:	134224294
Reduced:	NF2O3H15C22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	411.103749
ΔH_f, kcal/mol:	-11.04
Dipole, Da:	7.38
IP(EA), eV:	-8.89(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-(2-chloro-6-methylphenyl)-3-oxoprop-1-en-2-yl]anilino]-5-fluorocyclohexa-2,4-diene-1-carboxylic acid

Drug info:

PubChemData

Smile

C=C/1/C=C\C=C/N(/C=C1/C(=O)C2=C(C=CC=C2F)F)C3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations