Geometry & MOs

Info

ID:	63404
PubChem CID:	26758253
Reduced:	SO4N5C20H25 (1)
Stoich.:	AB4C5D20E25 (1)
Weight, g/mol:	444.03208
ΔH_f, kcal/mol:	-92.49
Dipole, Da:	8.89
IP(EA), eV:	-9.15(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations