Geometry & MOs

Info

ID:	376176
PubChem CID:	134222181
Reduced:	ClF3O3N4H14C22 (1)
Stoich.:	AB3C3D4E14F22 (1)
Weight, g/mol:	513.022159
ΔH_f, kcal/mol:	-167.88
Dipole, Da:	10.42
IP(EA), eV:	-9.62(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-pentan-3-yl-4-[(E)-4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations