Geometry & MOs

Info

ID:	434545
PubChem CID:	135175159
Reduced:	BrSN4O4C28H31 (1)
Stoich.:	ABC4D4E28F31 (1)
Weight, g/mol:	499.243084
ΔH_f, kcal/mol:	-106.08
Dipole, Da:	2.08
IP(EA), eV:	-9.05(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)Br)O)N4CC5=CC=CC=C5C4O

DOS

IR

Vibrations