Geometry & MOs

Info

ID:	329276
PubChem CID:	126733852
Reduced:	N2H20C21 (1)
Stoich.:	A2B20C21 (1)
Weight, g/mol:	475.98287
ΔH_f, kcal/mol:	118.81
Dipole, Da:	3.92
IP(EA), eV:	-8.46(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(5-bromo-2-fluorophenyl)-5-cyano-1-fluoro-5-methylsulfonylpentan-2-yl]-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

CC1=C(N(C(=N1)C2=CC=CCC=C2)C3=CC=CC=C3)/C=C\C=C

DOS

IR

Vibrations