Geometry & MOs

Info

ID:	86963
PubChem CID:	49890259
Reduced:	FNSO5H18C25 (1)
Stoich.:	ABCD5E18F25 (1)
Weight, g/mol:	465.00457
ΔH_f, kcal/mol:	-149.74
Dipole, Da:	4.14
IP(EA), eV:	-9.04(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations