Geometry & MOs

Info

ID:	449549
PubChem CID:	135299497
Reduced:	OC2H4 (8)
Stoich.:	AB2C4 (8)
Weight, g/mol:	892.322861
ΔH_f, kcal/mol:	-407.53
Dipole, Da:	1.9
IP(EA), eV:	-9.88(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[9-[6-[[(2-acetamidoethylamino)-chlorophosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]-2-[(2-phenylacetyl)amino]purin-6-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCC(CC(CC(C)OC(=O)C)O)OC(CO)COC(CO)CO

DOS

IR

Vibrations