Geometry & MOs

Info

ID:	171167
PubChem CID:	75338241
Reduced:	SN2F3O4H11C17 (1)
Stoich.:	AB2C3D4E11F17 (1)
Weight, g/mol:	385.038686
ΔH_f, kcal/mol:	-243.96
Dipole, Da:	4.21
IP(EA), eV:	-9.09(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(O2)C=C3C(=O)N(C(=O)S3)CC(=O)N)C(F)(F)F

DOS

IR

Vibrations