Geometry & MOs

Info

ID:	80700
PubChem CID:	49835918
Reduced:	FOSN3H14C16 (1)
Stoich.:	ABCD3E14F16 (1)
Weight, g/mol:	329.099811
ΔH_f, kcal/mol:	3.73
Dipole, Da:	3.68
IP(EA), eV:	-8.45(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(methylamino)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CN=C1N(C(=O)/C(=C/C2=CN(C=C2)C3=CC=CC=C3F)/S1)C

DOS

IR

Vibrations