Geometry & MOs

Info

ID:	168249
PubChem CID:	74940363
Reduced:	ClSN2O2H18C20 (1)
Stoich.:	ABC2D2E18F20 (1)
Weight, g/mol:	375.03703
ΔH_f, kcal/mol:	11.86
Dipole, Da:	3.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.198331
Charge, e:	-1

Chem-info

IUPAC name:

5-[(3-chloro-4-ethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazol-4-olate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C=C2C(=NC(=NC3=C(C(=CC=C3)Cl)C)S2)[O-])C

DOS

IR

Vibrations