Geometry & MOs

Info

ID:	233564
PubChem CID:	91145467
Reduced:	FSO4N5C28H30 (1)
Stoich.:	ABC4D5E28F30 (1)
Weight, g/mol:	384.179755
ΔH_f, kcal/mol:	-125.17
Dipole, Da:	7.81
IP(EA), eV:	-9.06(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=S)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=CN=C(C=C3)C4([C@H]5[C@@H]4CN(C5)C(=O)OC(C)(C)C)C#N)F

DOS

IR

Vibrations