Geometry & MOs

Info

ID:	53017
PubChem CID:	14709403
Reduced:	N2S2O3C7H8 (1)
Stoich.:	A2B2C3D7E8 (1)
Weight, g/mol:	457.971725
ΔH_f, kcal/mol:	-91.71
Dipole, Da:	4.11
IP(EA), eV:	-9.69(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(4-chlorophenyl)methylidene]-2-[(E)-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]methyl]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

C1C(=O)N=C(S1)/C=C(\N)/SCC(=O)O

DOS

IR

Vibrations