Geometry & MOs

Info

ID:	87113
PubChem CID:	49892211
Reduced:	ClFISN2O5H23C28 (1)
Stoich.:	ABCDE2F5G23H28 (1)
Weight, g/mol:	474.98892
ΔH_f, kcal/mol:	-156.06
Dipole, Da:	6.24
IP(EA), eV:	-8.87(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]-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=C3F)I)OCC(=O)NC4=CC(=C(C=C4)C)Cl

DOS

IR

Vibrations