Geometry & MOs

Info

ID:	87619
PubChem CID:	49895878
Reduced:	NSCl2O4H17C25 (1)
Stoich.:	ABC2D4E17F25 (1)
Weight, g/mol:	439.120192
ΔH_f, kcal/mol:	-92.44
Dipole, Da:	5.26
IP(EA), eV:	-9.26(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-methylphenyl)methyl]-5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-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)OC(=O)C4=CC=CC=C4Cl)/SC2=O

DOS

IR

Vibrations