Geometry & MOs

Info

ID:	86811
PubChem CID:	49889489
Reduced:	FSN2O6H21C26 (1)
Stoich.:	ABC2D6E21F26 (1)
Weight, g/mol:	401.109707
ΔH_f, kcal/mol:	-124.55
Dipole, Da:	3.57
IP(EA), eV:	-8.93(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3,4-diethoxyphenyl)methylidene]-3-[(4-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=C(C=C3)F)OCC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations