Geometry & MOs

Info

ID:	87689
PubChem CID:	49896535
Reduced:	NSO5H19C20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	401.108565
ΔH_f, kcal/mol:	-145.27
Dipole, Da:	3.37
IP(EA), eV:	-8.76(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)OC)O)OC)/SC2=O

DOS

IR

Vibrations