Geometry & MOs

Info

ID:	87643
PubChem CID:	49896202
Reduced:	SCl2N2O4H22C27 (1)
Stoich.:	AB2C2D4E22F27 (1)
Weight, g/mol:	491.078721
ΔH_f, kcal/mol:	-106.77
Dipole, Da:	3.11
IP(EA), eV:	-8.94(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-3-[(3-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Cl)OCC(=O)NC4=CC(=C(C=C4)C)Cl)/SC2=O

DOS

IR

Vibrations