Geometry & MOs

Info

ID:	391900
PubChem CID:	135010753
Reduced:	NSO2C13H14 (2)
Stoich.:	ABC2D13E14 (2)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-99.31
Dipole, Da:	4.46
IP(EA), eV:	-9.03(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,3S)-4-hydroxy-3-methyl-2-phenylmethoxybutyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C[C@H]([C@@H](CN1C(=O)C2=CC=CC=C2C1=O)OCC3=CC=CC=C3)C(=O)N4[C@H](CSC4=S)C(C)C

DOS

IR

Vibrations