Geometry & MOs

Info

ID:	86808
PubChem CID:	49889478
Reduced:	FSN2O6H19C25 (1)
Stoich.:	ABC2D6E19F25 (1)
Weight, g/mol:	469.114793
ΔH_f, kcal/mol:	-118.04
Dipole, Da:	7.24
IP(EA), eV:	-9.03(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-fluorophenyl)methyl]-5-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)OCC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations