Geometry & MOs

Info

ID:	87869
PubChem CID:	49898129
Reduced:	SN2Cl3O4H9C17 (1)
Stoich.:	AB2C3D4E9F17 (1)
Weight, g/mol:	576.9517
ΔH_f, kcal/mol:	-44.09
Dipole, Da:	3.39
IP(EA), eV:	-9.77(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-[(4-bromophenyl)methoxy]-4-methoxyphenyl]methylidene]-3-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CN2C(=O)/C(=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl)/SC2=O)Cl

DOS

IR

Vibrations