Geometry & MOs

Info

ID:	318327
PubChem CID:	126650517
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	559.198836
ΔH_f, kcal/mol:	-158.86
Dipole, Da:	8.6
IP(EA), eV:	-9.1(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3R,4S)-4-[4-(methanesulfonamido)phenyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]-3-oxo-1H-isoindole-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@]1(CN(CC[C@H]1C2=CC=C(C=C2)OC)C(=O)O)CO

DOS

IR

Vibrations