Geometry & MOs

Info

ID:	86790
PubChem CID:	49889336
Reduced:	FNSO5H16C20 (1)
Stoich.:	ABCD5E16F20 (1)
Weight, g/mol:	458.013949
ΔH_f, kcal/mol:	-186.38
Dipole, Da:	4.64
IP(EA), eV:	-9.05(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)OC

DOS

IR

Vibrations