Geometry & MOs

Info

ID:	376203
PubChem CID:	134222210
Reduced:	SCl2O3F5H17C22 (1)
Stoich.:	AB2C3D5E17F22 (1)
Weight, g/mol:	467.150842
ΔH_f, kcal/mol:	-334.52
Dipole, Da:	5.72
IP(EA), eV:	-10.27(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(E)-3-(3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-fluorophenyl]methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1C(CS1(=O)=O)CCC(=O)C2=C(C=C(C=C2)/C=C/C(C3=CC(=C(C(=C3)Cl)F)Cl)C(F)(F)F)F

DOS

IR

Vibrations