Geometry & MOs

Info

ID:	376172
PubChem CID:	134222177
Reduced:	ClF3O3N4H14C22 (1)
Stoich.:	AB3C3D4E14F22 (1)
Weight, g/mol:	471.097969
ΔH_f, kcal/mol:	-171.5
Dipole, Da:	12.12
IP(EA), eV:	-9.7(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]-N,2-dimethyl-N-(4-oxobutyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1/C=C/C(C2=CC(=CC(=C2)Cl)N3C=CC(=NC3=O)N)C(F)(F)F)C#N)C(=O)O

DOS

IR

Vibrations