Geometry & MOs

Info

ID:

434279

PubChem CID:

135174577

Reduced:

P2N10O12C21H24 (1)

Stoich.:

A2B10C12D21E24 (1)

Weight, g/mol:

644.125776

ΔHf, kcal/mol:

-452.8

Dipole, Da:

11.65

IP(EA), eV:

 -9.28(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(2-amino-6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl [(3S)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

C1[C@H]2COP(=O)(OC3C4C(OC3(CO4)COP(=O)(OC1C(O2)N5C=NC6=C5NC(=NC6=O)N)O)N7C=NC8=C(N=CN=C87)N)O

DOS

IR

Vibrations