Geometry & MOs

Info

ID:	87708
PubChem CID:	49896689
Reduced:	SN3O3H19C24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	445.03473
ΔH_f, kcal/mol:	3.58
Dipole, Da:	11.94
IP(EA), eV:	-8.57(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=C/C(=N/NC4=CC=CC=C4)/C=CC3=O)/SC2=O

DOS

IR

Vibrations