Geometry & MOs

Info

ID:

215067

PubChem CID:

85084085

Reduced:

S4N6O15C17H29 (1)

Stoich.:

A4B6C15D17E29 (1)

Weight, g/mol:

685.266536

ΔHf, kcal/mol:

-526.86

Dipole, Da:

9.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.765208

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-[4-[6-methoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]cyclopent-2-en-1-yl]oxypropyl hydrogen phosphate

Drug info:

PubChemData

Smile

C[S+](CCC(C(=O)O)N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.C(CS(=O)(=O)O)S(=O)(=O)O.[O-]S(=O)(=O)[O-]

DOS

IR

Vibrations