Geometry & MOs

Info

ID:	86554
PubChem CID:	49887080
Reduced:	NSBr2Cl2O3H15C24 (1)
Stoich.:	ABC2D2E3F15G24 (1)
Weight, g/mol:	445.111457
ΔH_f, kcal/mol:	-36.55
Dipole, Da:	4.77
IP(EA), eV:	-9.48(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OCC4=CC=C(C=C4)Cl)Br)/SC2=O)Cl

DOS

IR

Vibrations