Geometry & MOs

Info

ID:

220126

PubChem CID:

85165272

Reduced:

O11C36H48 (1)

Stoich.:

A11B36C48 (1)

Weight, g/mol:

656.141384

ΔHf, kcal/mol:

-490.45

Dipole, Da:

6.33

IP(EA), eV:

 -9.92(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[6-[bis[(5-chloropyridin-2-yl)carbamoyl]amino]purin-9-yl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide

Drug info:

PubChemData

Smile

CC1(C2CCC3(C(C2(CC(C1=O)OC(=O)CC(C)(CC(=O)O)O)C)CC(=O)C3C4=CCC(OC4O)C(=C)C5=CC(=O)C(O5)(C)C)C)C

DOS

IR

Vibrations