Geometry & MOs

Info

ID:	28683
PubChem CID:	828934
Reduced:	SN2O3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	310.077599
ΔH_f, kcal/mol:	-28.19
Dipole, Da:	4.46
IP(EA), eV:	-8.69(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-(2-hydroxyanilino)-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1/C=C/2\C(=O)N=C(S2)NC3=CC=CC=C3O

DOS

IR

Vibrations