Geometry & MOs

Info

ID:

449084

PubChem CID:

135295906

Reduced:

ClPO5N7C17H27 (1)

Stoich.:

ABC5D7E17F27 (1)

Weight, g/mol:

696.289731

ΔHf, kcal/mol:

-231.76

Dipole, Da:

8.4

IP(EA), eV:

 -8.78(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9-[(6S)-6-[[dimethylamino-[(2R)-2-ethyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]purin-6-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3CN(C[C@H](O3)CO[P@](=O)(N(C)C)Cl)C

DOS

IR

Vibrations