Geometry & MOs

Info

ID:	127301
PubChem CID:	50997540
Reduced:	N4O6C25H28 (1)
Stoich.:	A4B6C25D28 (1)
Weight, g/mol:	493.196134
ΔH_f, kcal/mol:	-197.16
Dipole, Da:	4.77
IP(EA), eV:	-9.04(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=CC(=CC=C1)N2CCO[C@@H](C2=O)[C@H](C(=O)NC3=CC4=C(C=C3)C(=NC4)N)O

DOS

IR

Vibrations