Geometry & MOs

Info

ID:	86715
PubChem CID:	49888617
Reduced:	NSO4H23C29 (1)
Stoich.:	ABC4D23E29 (1)
Weight, g/mol:	411.150429
ΔH_f, kcal/mol:	-46.16
Dipole, Da:	4.68
IP(EA), eV:	-8.81(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[(4-butan-2-yloxy-3-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC2=CC=CC3=CC=CC=C32)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=CC=C5

DOS

IR

Vibrations