Geometry & MOs

Info

ID:	63391
PubChem CID:	26758228
Reduced:	BrSO3N5C16H18 (1)
Stoich.:	ABC3D5E16F18 (1)
Weight, g/mol:	318.121572
ΔH_f, kcal/mol:	-42.68
Dipole, Da:	7.42
IP(EA), eV:	-8.94(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations