Geometry & MOs

Info

ID:	376177
PubChem CID:	134222182
Reduced:	NOF3Cl4H20C22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	520.129603
ΔH_f, kcal/mol:	-201.53
Dipole, Da:	1.62
IP(EA), eV:	-9.83(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(3,5-dichloro-4-methylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methyl-N-(2-pyridin-2-ylpropan-2-yl)benzamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1=C(C=C(C=C1)/C=C/C(C2=CC(=C(C(=C2)Cl)Cl)Cl)C(F)(F)F)Cl

DOS

IR

Vibrations