Geometry & MOs

Info

ID:	127303
PubChem CID:	50997619
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	520.207033
ΔH_f, kcal/mol:	-94.2
Dipole, Da:	9.93
IP(EA), eV:	-9.23(-1.18)
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-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide

Drug info:

PubChemData

Smile

CCC(CC)N1C2=NC(=NC(=O)C2=CN1)C3CCCC(C3)C(=O)OCC

DOS

IR

Vibrations