Geometry & MOs

Info

ID:	64522
PubChem CID:	29202754
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	445.232519
ΔH_f, kcal/mol:	-14.22
Dipole, Da:	6.25
IP(EA), eV:	-8.56(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2=NN(C=C2C(=O)NCCCOC)C3=CC=CC=C3

DOS

IR

Vibrations