Geometry & MOs

Info

ID:	86839
PubChem CID:	49889621
Reduced:	ClFINSO4H20C26 (1)
Stoich.:	ABCDEF4G20H26 (1)
Weight, g/mol:	468.96449
ΔH_f, kcal/mol:	-111.15
Dipole, Da:	4.33
IP(EA), eV:	-8.76(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-fluorophenyl)methyl]-5-[(3-iodo-4-methoxyphenyl)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=C(C=C3)F)I)OCC4=CC=CC=C4Cl

DOS

IR

Vibrations