Geometry & MOs

Info

ID:	86732
PubChem CID:	49888742
Reduced:	ClN2S2O4H9C15 (1)
Stoich.:	AB2C2D4E9F15 (1)
Weight, g/mol:	404.02337
ΔH_f, kcal/mol:	-24.81
Dipole, Da:	3.8
IP(EA), eV:	-9.74(-2.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC=C(S3)[N+](=O)[O-])/SC2=O)Cl

DOS

IR

Vibrations