Geometry & MOs

Info

ID:	225388
PubChem CID:	85756638
Reduced:	NF2O2H15C21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	393.11765
ΔH_f, kcal/mol:	-93.71
Dipole, Da:	4.54
IP(EA), eV:	-8.53(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4,4-bis(4-fluorophenyl)but-3-enoylamino]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=CC(=O)NC2=CC=C(C=C2)O)C3=CC=C(C=C3)F)F

DOS

IR

Vibrations