Geometry & MOs

Info

ID:	88256
PubChem CID:	49902635
Reduced:	SCl2N2O5H24C28 (1)
Stoich.:	AB2C2D5E24F28 (1)
Weight, g/mol:	509.02964
ΔH_f, kcal/mol:	-142.92
Dipole, Da:	4.89
IP(EA), eV:	-8.89(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[[4-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=CC=C3)Cl)OCC(=O)NC4=CC(=C(C=C4)C)Cl

DOS

IR

Vibrations