Geometry & MOs

Info

ID:	86908
PubChem CID:	49889963
Reduced:	FSN2O5H17C24 (1)
Stoich.:	ABC2D5E17F24 (1)
Weight, g/mol:	477.177393
ΔH_f, kcal/mol:	-80.89
Dipole, Da:	8.11
IP(EA), eV:	-9.5(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[5-(1-adamantyl)-2-methoxyphenyl]methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=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