Geometry & MOs

Info

ID:	433313
PubChem CID:	135173450
Reduced:	SF3O3N6H19C22 (1)
Stoich.:	AB3C3D6E19F22 (1)
Weight, g/mol:	382.152872
ΔH_f, kcal/mol:	-133.69
Dipole, Da:	5.28
IP(EA), eV:	-8.56(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-dioxo-4-(4-phenylmethoxybutoxy)isoindol-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1F)S(=O)(=O)NC2=C(C(=C(C=C2)F)C(=O)C3=CNC4=C3C=C(C=N4)C5=CC=NCN5)F

DOS

IR

Vibrations