Geometry & MOs

Info

ID:	63395
PubChem CID:	26758237
Reduced:	SO4N5C20H21 (1)
Stoich.:	AB4C5D20E21 (1)
Weight, g/mol:	384.11215
ΔH_f, kcal/mol:	-48.63
Dipole, Da:	5.69
IP(EA), eV:	-9.05(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CO4

DOS

IR

Vibrations