Geometry & MOs

Info

ID:	64277
PubChem CID:	29198832
Reduced:	SN4O4C24H30 (1)
Stoich.:	AB4C4D24E30 (1)
Weight, g/mol:	460.059277
ΔH_f, kcal/mol:	-112.86
Dipole, Da:	4.48
IP(EA), eV:	-8.54(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C)C)S(=O)(=O)NC[C@@H](C2=CNC3=CC=CC=C32)N4CCOCC4

DOS

IR

Vibrations