Geometry & MOs

Info

ID:	171055
PubChem CID:	75317840
Reduced:	ClFNSO4H15C19 (1)
Stoich.:	ABCDE4F15G19 (1)
Weight, g/mol:	454.063486
ΔH_f, kcal/mol:	-143.93
Dipole, Da:	3.13
IP(EA), eV:	-8.62(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-fluorophenyl)methyl]-5-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3F)Cl)OC

DOS

IR

Vibrations