Geometry & MOs

Info

ID:	202864
PubChem CID:	79735195
Reduced:	BrFO3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	311.96198
ΔH_f, kcal/mol:	-99.7
Dipole, Da:	2.6
IP(EA), eV:	-8.73(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-fluorophenyl)-(5-ethylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)F)Br)OC

DOS

IR

Vibrations