Geometry & MOs

Info

ID:

214507

PubChem CID:

85083135

Reduced:

N5O7H27C28 (1)

Stoich.:

A5B7C27D28 (1)

Weight, g/mol:

543.259403

ΔHf, kcal/mol:

-182.36

Dipole, Da:

8.41

IP(EA), eV:

 -9.54(-1.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropyl-2,2-dimethyl-4-[6-[2-(1-prop-2-enylindol-3-yl)ethylamino]purin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide

Drug info:

PubChemData

Smile

CCC1(CC(=O)OCC2=C1C=C3C4=NC5=CC=CC=C5C(=C4CN3C2=O)C=NOCC6CC(=O)NC(=O)N6)CO

DOS

IR

Vibrations