Geometry & MOs

Info

ID:

189815

PubChem CID:

77907162

Reduced:

PSN3O10C37H41 (1)

Stoich.:

ABC3D10E37F41 (1)

Weight, g/mol:

411.238273

ΔHf, kcal/mol:

-380.16

Dipole, Da:

5.75

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.036654

Charge, e:

 0

Chem-info

IUPAC name:

N-(dicyclopropylmethyl)-9-(8,8-dimethyl-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-yl)-2-hydrazinylpurin-6-amine

Drug info:

PubChemData

Smile

CC1(C(C(OC1(C#N)N2CCC(=O)NC2=O)CO[P+](=O)OCCSC(=O)C(C)(C)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O)O

DOS

IR

Vibrations