Geometry & MOs

Info

ID:	171219
PubChem CID:	75344816
Reduced:	SN2O7H18C25 (1)
Stoich.:	AB2C7D18E25 (1)
Weight, g/mol:	525.00123
ΔH_f, kcal/mol:	-106.75
Dipole, Da:	3.15
IP(EA), eV:	-8.99(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-bromo-4,5-diethoxyphenyl)methylidene]-3-[2-(2-chlorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations