Geometry & MOs

Info

ID:	54578
PubChem CID:	17388932
Reduced:	N4O6H12C13 (1)
Stoich.:	A4B6C12D13 (1)
Weight, g/mol:	386.108899
ΔH_f, kcal/mol:	-56.51
Dipole, Da:	8.48
IP(EA), eV:	-9.29(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-anilino-5-[(5-benzyl-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CCOC1=CN=C(O1)C(=O)NN/C=C\2/C=C(C=CC2=O)[N+](=O)[O-]

DOS

IR

Vibrations