Geometry & MOs

Info

ID:	288889
PubChem CID:	104327833
Reduced:	BrFON2H10C15 (1)
Stoich.:	ABCD2E10F15 (1)
Weight, g/mol:	270.051464
ΔH_f, kcal/mol:	-12.04
Dipole, Da:	4.48
IP(EA), eV:	-9.77(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzothiophen-3-yl-(4-fluoro-2-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)NC2=C(C=C(C=C2)Br)C#N

DOS

IR

Vibrations