Geometry & MOs

Info

ID:	54859
PubChem CID:	17389418
Reduced:	INS2O4H16C24 (1)
Stoich.:	ABC2D4E16F24 (1)
Weight, g/mol:	487.991982
ΔH_f, kcal/mol:	-9.47
Dipole, Da:	4.03
IP(EA), eV:	-9.06(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2-(2-chloroanilino)-5-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC=CC=C3)OC(=O)C4=CC(=CC=C4)I

DOS

IR

Vibrations