Geometry & MOs

Info

ID:	425494
PubChem CID:	135126544
Reduced:	OSF2N5H19C21 (1)
Stoich.:	ABC2D5E19F21 (1)
Weight, g/mol:	339.9722
ΔH_f, kcal/mol:	18.99
Dipole, Da:	1.97
IP(EA), eV:	-9.05(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-fluorophenyl)-2-(1,1,1-trifluorobut-3-en-2-yloxy)ethanone

Drug info:

PubChemData

Smile

C#CCOC1=NC=C(N=C1)/C(=C/C2=CC(=C(C=C2)F)[C@]34CNC[C@H]3CSC(=N4)N)/F

DOS

IR

Vibrations