Geometry & MOs

Info

ID:	314659
PubChem CID:	126622589
Reduced:	Cl2F2O2N3H19C26 (1)
Stoich.:	A2B2C2D3E19F26 (1)
Weight, g/mol:	311.059386
ΔH_f, kcal/mol:	-96.79
Dipole, Da:	6.58
IP(EA), eV:	-9.52(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-(1,3-dioxoisoindol-2-yl)-2-fluorophenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C(=O)NC2=CC=CC(=C2F)C3=CC=CC=C3Cl)C(=O)CC4=CC(=C(C=C4)Cl)C#N)F

DOS

IR

Vibrations