Geometry & MOs

Info

ID:	171262
PubChem CID:	75350934
Reduced:	IN2S2O9H21C26 (1)
Stoich.:	AB2C2D9E21F26 (1)
Weight, g/mol:	414.088557
ΔH_f, kcal/mol:	-166.55
Dipole, Da:	4.1
IP(EA), eV:	-8.67(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-methoxy-5-nitrophenyl)methylidene]-3-[2-(4-methylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCN2C(=O)C(=CC3=CC(=C(C(=C3)I)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC)SC2=O

DOS

IR

Vibrations