Geometry & MOs

Info

ID:	329273
PubChem CID:	126733835
Reduced:	NH9C12 (3)
Stoich.:	AB9C12 (3)
Weight, g/mol:	473.96722
ΔH_f, kcal/mol:	187.18
Dipole, Da:	3.04
IP(EA), eV:	-8.93(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z,2S)-2-(5-bromo-2-fluorophenyl)-5-cyano-1-fluoro-5-methylsulfonylpent-4-en-2-yl]-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C(C=CN=C12)C3=CC=CC(=N3)C4=CC=CC=C4)/C(=C\C=C)/C5=CC=CC(=N5)C6=CC=CC=C6

DOS

IR

Vibrations