Geometry & MOs

Info

ID:	391477
PubChem CID:	135005566
Reduced:	O2H8C9 (3)
Stoich.:	A2B8C9 (3)
Weight, g/mol:	363.93805
ΔH_f, kcal/mol:	-159.2
Dipole, Da:	4.28
IP(EA), eV:	-9.63(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-3,3,3-trifluoro-2-hydroxy-1-thiophen-2-ylpropan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C([C@@H](CC=O)C2=CC=C(C=C2)C=O)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations