Geometry & MOs

Info

ID:	153880
PubChem CID:	56313213
Reduced:	FS2O3N4H21C23 (1)
Stoich.:	AB2C3D4E21F23 (1)
Weight, g/mol:	465.167554
ΔH_f, kcal/mol:	-53.96
Dipole, Da:	8.54
IP(EA), eV:	-8.63(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-[4-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoyl]piperazin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCN(CC3)C4=C(C(=CC=C4)F)C#N

DOS

IR

Vibrations