Geometry & MOs

Info

ID:	206067
PubChem CID:	80197509
Reduced:	BrOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	299.042771
ΔH_f, kcal/mol:	-54.35
Dipole, Da:	3.33
IP(EA), eV:	-8.76(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3,5-difluorophenyl)-2-oxo-1,3-thiazol-3-yl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)CC(C)CBr

DOS

IR

Vibrations