Geometry & MOs

Info

ID:	433417
PubChem CID:	135173554
Reduced:	SO3N4C22H40 (1)
Stoich.:	AB3C4D22E40 (1)
Weight, g/mol:	482.205301
ΔH_f, kcal/mol:	-151.3
Dipole, Da:	4.01
IP(EA), eV:	-8.55(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S)-5-amino-4-[1,3-dioxo-4-(2-phenylmethoxyethoxy)isoindol-2-yl]-5-oxopentanoate

Drug info:

PubChemData

Smile

C/C=C\CC(C(C)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)N)O)C(C)N=CSC

DOS

IR

Vibrations