Geometry & MOs

Info

ID:	374070
PubChem CID:	131323270
Reduced:	BrOSF3H6C8 (1)
Stoich.:	ABCD3E6F8 (1)
Weight, g/mol:	236.006264
ΔH_f, kcal/mol:	-175.07
Dipole, Da:	2.64
IP(EA), eV:	-8.93(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-(4-thiophen-3-ylphenyl)ethanone

Drug info:

PubChemData

Smile

CSC1=C(C=C(C=C1Br)O)C(F)(F)F

DOS

IR

Vibrations