Geometry & MOs

Info

ID:	86857
PubChem CID:	49889774
Reduced:	SCl2N2O5H22C27 (1)
Stoich.:	AB2C2D5E22F27 (1)
Weight, g/mol:	403.088972
ΔH_f, kcal/mol:	-132.15
Dipole, Da:	3.76
IP(EA), eV:	-8.98(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2,3,4-trimethoxyphenyl)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=C(C=C(C=C3)Cl)Cl)OCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations