Geometry & MOs

Info

ID:	87169
PubChem CID:	49892826
Reduced:	SCl2N2O2H18C23 (1)
Stoich.:	AB2C2D2E18F23 (1)
Weight, g/mol:	443.01497
ΔH_f, kcal/mol:	-22.76
Dipole, Da:	10.14
IP(EA), eV:	-8.52(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,4-dichlorophenyl)methyl]-5-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC=C2Cl)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations