Geometry & MOs

Info

ID:

449082

PubChem CID:

135295901

Reduced:

ClPO4N7C20H25 (1)

Stoich.:

ABC4D7E20F25 (1)

Weight, g/mol:

664.284645

ΔHf, kcal/mol:

-134.74

Dipole, Da:

3.8

IP(EA), eV:

 -9.04(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9-[(6S)-6-[[dimethylamino-[(6R)-2-(2,4-dioxopyrimidin-1-yl)-6-ethylmorpholin-4-yl]phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CN1C[C@H](O[C@H](C1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CO[P@](=O)(N(C)C)Cl

DOS

IR

Vibrations