Geometry & MOs

Info

ID:

184395

PubChem CID:

77155161

Reduced:

ClN3O3H26C27 (1)

Stoich.:

AB3C3D26E27 (1)

Weight, g/mol:

654.288986

ΔHf, kcal/mol:

-67.92

Dipole, Da:

8.26

IP(EA), eV:

 -8.43(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[2-[3-(dimethylamino)pyrrolidin-1-yl]-6-(naphthalen-1-ylmethylamino)purin-9-yl]-2-hydroxy-3-(propanoylamino)cyclopentyl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=CC=C1)NC(=C2C3=C(C=C(C=C3)Cl)NC2=O)C4=CC=CC(=C4)CCC(=O)O)N

DOS

IR

Vibrations