Geometry & MOs

Info

ID:	132569
PubChem CID:	51380222
Reduced:	NCl2O2H9C15 (1)
Stoich.:	AB2C2D9E15 (1)
Weight, g/mol:	404.041998
ΔH_f, kcal/mol:	-16.95
Dipole, Da:	3.9
IP(EA), eV:	-9.46(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(3-chloro-2-methylanilino)methyl]-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)[C@H](OC2=O)C=NC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations