Geometry & MOs

Info

ID:	243871
PubChem CID:	99289522
Reduced:	FSN3O4H16C21 (1)
Stoich.:	ABC3D4E16F21 (1)
Weight, g/mol:	401.104542
ΔH_f, kcal/mol:	-117.56
Dipole, Da:	6.58
IP(EA), eV:	-9.15(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-acetylphenyl)sulfonylamino]-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide

Drug info:

PubChemData

Smile

C1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4F)C(=O)N1

DOS

IR

Vibrations