Geometry & MOs

Info

ID:

215421

PubChem CID:

85084708

Reduced:

N5O14C44H75 (1)

Stoich.:

A5B14C44D75 (1)

Weight, g/mol:

897.416432

ΔHf, kcal/mol:

-482.34

Dipole, Da:

8.0

IP(EA), eV:

 -8.02(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1,2-diacetyloxy-4-[[9-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]amino]-5-methyl-1,2,3,4-tetrahydrochrysen-3-yl] acetate

Drug info:

PubChemData

Smile

COCCOCCOCCOCCOCCOC1=CC=CC(=CNCCNCCNCCNCCNC=C2C=CC=C(C2=O)OCCOCCOCCOCCOCCOC)C1=O

DOS

IR

Vibrations