Geometry & MOs

Info

ID:	86859
PubChem CID:	49889785
Reduced:	NSO2F4H11C18 (1)
Stoich.:	ABC2D4E11F18 (1)
Weight, g/mol:	451.06382
ΔH_f, kcal/mol:	-225.77
Dipole, Da:	2.28
IP(EA), eV:	-9.88(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-fluorophenyl)methyl]-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC=C(C=C3)C(F)(F)F)/SC2=O)F

DOS

IR

Vibrations