Geometry & MOs

Info

ID:	171056
PubChem CID:	75317841
Reduced:	FSN2O6H15C22 (1)
Stoich.:	ABC2D6E15F22 (1)
Weight, g/mol:	463.125358
ΔH_f, kcal/mol:	-108.2
Dipole, Da:	4.11
IP(EA), eV:	-9.12(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-fluorophenyl)methyl]-5-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=O)N(C(=O)S3)CC4=CC=CC=C4F

DOS

IR

Vibrations