Geometry & MOs

Info

ID:	86637
PubChem CID:	49888033
Reduced:	SCl2N2O4H18C25 (1)
Stoich.:	AB2C2D4E18F25 (1)
Weight, g/mol:	557.00632
ΔH_f, kcal/mol:	-88.75
Dipole, Da:	3.73
IP(EA), eV:	-9.14(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl)OCC(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations