Geometry & MOs

Info

ID:

449083

PubChem CID:

135295903

Reduced:

PO8N10C27H41 (1)

Stoich.:

AB8C10D27E41 (1)

Weight, g/mol:

475.149982

ΔHf, kcal/mol:

-339.58

Dipole, Da:

10.78

IP(EA), eV:

 -9.16(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H]1CN(CC(O1)N2C=CC(=O)NC2=O)[P@](=O)(N(C)C)OC[C@@H]3CN(CC(O3)N4C=NC5=C4NC(=NC5=O)NC(=O)C(C)C)C

DOS

IR

Vibrations