Geometry & MOs

Info

ID:	29927
PubChem CID:	838286
Reduced:	ClSO2N3C14H14 (1)
Stoich.:	ABC2D3E14F14 (1)
Weight, g/mol:	328.068177
ΔH_f, kcal/mol:	-36.83
Dipole, Da:	4.01
IP(EA), eV:	-9.08(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2-(4-fluoroanilino)-5-[(3-methoxyphenyl)methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)NN)NC(=O)C2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations