Geometry & MOs

Info

ID:	88234
PubChem CID:	49902480
Reduced:	SBr2N2O5H12C21 (1)
Stoich.:	AB2C2D5E12F21 (1)
Weight, g/mol:	600.94194
ΔH_f, kcal/mol:	-22.12
Dipole, Da:	5.23
IP(EA), eV:	-9.49(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Br)/SC2=O)Br

DOS

IR

Vibrations