Geometry & MOs

Info

ID:	88203
PubChem CID:	49902275
Reduced:	NSCl3O3H12C21 (1)
Stoich.:	ABC3D3E12F21 (1)
Weight, g/mol:	559.04529
ΔH_f, kcal/mol:	-53.76
Dipole, Da:	4.35
IP(EA), eV:	-9.24(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=CC(=C4)Cl)Cl)/SC2=O

DOS

IR

Vibrations