Geometry & MOs

Info

ID:	38284
PubChem CID:	8029170
Reduced:	FSN2O4H13C21 (1)
Stoich.:	ABC2D4E13F21 (1)
Weight, g/mol:	398.040642
ΔH_f, kcal/mol:	-77.0
Dipole, Da:	4.52
IP(EA), eV:	-9.06(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)C3=C(O2)C(=O)N([C@H]3C4=CC=CC=C4F)C5=NC=CS5

DOS

IR

Vibrations