Geometry & MOs

Info

ID:	26892
PubChem CID:	803438
Reduced:	BrNO2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	253.003134
ΔH_f, kcal/mol:	-25.5
Dipole, Da:	3.81
IP(EA), eV:	-9.43(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-fluorophenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2=CC=C(O2)Br

DOS

IR

Vibrations