Geometry & MOs

Info

ID:	31923
PubChem CID:	3723581
Reduced:	SN2Cl3O4H17C24 (1)
Stoich.:	AB2C3D4E17F24 (1)
Weight, g/mol:	326.008279
ΔH_f, kcal/mol:	-65.28
Dipole, Da:	5.39
IP(EA), eV:	-9.29(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) 4-fluorobenzoate

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)C2=CC=CC=C2)COC(=O)C3=C(C=C(C=C3)Cl)Cl)S(=O)(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations