Geometry & MOs

Info

ID:	205734
PubChem CID:	80147547
Reduced:	FNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	329.8211
ΔH_f, kcal/mol:	-168.96
Dipole, Da:	3.47
IP(EA), eV:	-8.79(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-(5-iodothiophen-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)C(=O)C)N2CCC(CC2)C(=O)OC

DOS

IR

Vibrations