Geometry & MOs

Info

ID:	378079
PubChem CID:	134224150
Reduced:	NCl2F3O4H16C25 (1)
Stoich.:	AB2C3D4E16F25 (1)
Weight, g/mol:	447.024055
ΔH_f, kcal/mol:	-248.11
Dipole, Da:	3.43
IP(EA), eV:	-9.28(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-(2,6-dichlorophenyl)-3-oxoprop-1-en-2-yl]-4-fluoroanilino]-3-fluorobenzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1C3=CC(=CC=C3)Cl)C=C(C=C2)Cl)C(=O)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations