Geometry & MOs

Info

ID:	87481
PubChem CID:	49894918
Reduced:	NSI2O3H19C25 (1)
Stoich.:	ABC2D3E19F25 (1)
Weight, g/mol:	630.03215
ΔH_f, kcal/mol:	-2.06
Dipole, Da:	3.83
IP(EA), eV:	-9.24(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-ethoxy-5-iodo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=C(C(=CC(=C3)I)I)OCC4=CC=CC=C4)/SC2=O

DOS

IR

Vibrations