Geometry & MOs

Info

ID:	88126
PubChem CID:	49901760
Reduced:	NSCl2O4H15C21 (1)
Stoich.:	ABC2D4E15F21 (1)
Weight, g/mol:	471.04627
ΔH_f, kcal/mol:	-47.7
Dipole, Da:	5.79
IP(EA), eV:	-8.8(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl)OCC#C

DOS

IR

Vibrations