Geometry & MOs

Info

ID:	88108
PubChem CID:	49901499
Reduced:	FNSCl3O3H11C21 (1)
Stoich.:	ABCD3E3F11G21 (1)
Weight, g/mol:	564.03685
ΔH_f, kcal/mol:	-96.97
Dipole, Da:	4.4
IP(EA), eV:	-9.2(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)F)Cl)/SC2=O)Cl)Cl

DOS

IR

Vibrations