Geometry & MOs

Info

ID:	69183
PubChem CID:	46530363
Reduced:	FSN3O5H18C24 (1)
Stoich.:	ABC3D5E18F24 (1)
Weight, g/mol:	464.02055
ΔH_f, kcal/mol:	-84.43
Dipole, Da:	5.47
IP(EA), eV:	-9.09(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C(=O)OC)OC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

DOS

IR

Vibrations