Geometry & MOs

Info

ID:	86533
PubChem CID:	49886713
Reduced:	SN2O5H18C24 (1)
Stoich.:	AB2C5D18E24 (1)
Weight, g/mol:	513.056835
ΔH_f, kcal/mol:	-34.43
Dipole, Da:	5.48
IP(EA), eV:	-9.4(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=CC=C3)OCC4=CC=CC=C4[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations