Geometry & MOs

Info

ID:	87183
PubChem CID:	49892940
Reduced:	BrNSCl2O3H16C20 (1)
Stoich.:	ABCD2E3F16G20 (1)
Weight, g/mol:	549.056835
ΔH_f, kcal/mol:	-86.69
Dipole, Da:	3.72
IP(EA), eV:	-8.99(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,4-dichlorophenyl)methyl]-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)Br

DOS

IR

Vibrations