Geometry & MOs

Info

ID:	88383
PubChem CID:	49903111
Reduced:	BrClINSO5H16C25 (1)
Stoich.:	ABCDEF5G16H25 (1)
Weight, g/mol:	513.141008
ΔH_f, kcal/mol:	-91.5
Dipole, Da:	4.13
IP(EA), eV:	-9.46(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-(naphthalen-1-ylmethyl)-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)Br)I)OC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations