Geometry & MOs

Info

ID:	87953
PubChem CID:	49898943
Reduced:	FNSO4H22C29 (1)
Stoich.:	ABCD4E22F29 (1)
Weight, g/mol:	456.130777
ΔH_f, kcal/mol:	-97.43
Dipole, Da:	5.45
IP(EA), eV:	-8.79(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC4=CC=CC=C43)OCC5=CC=C(C=C5)F

DOS

IR

Vibrations