Geometry & MOs

Info

ID:	61932
PubChem CID:	26715946
Reduced:	FSN3O5C20H24 (1)
Stoich.:	ABC3D5E20F24 (1)
Weight, g/mol:	498.101621
ΔH_f, kcal/mol:	-192.99
Dipole, Da:	4.54
IP(EA), eV:	-8.86(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] (2S)-2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)NNC(=O)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations