Geometry & MOs

Info

ID:

214563

PubChem CID:

85083199

Reduced:

NSO5C32H39 (1)

Stoich.:

ABC5D32E39 (1)

Weight, g/mol:

549.280273

ΔHf, kcal/mol:

-177.25

Dipole, Da:

3.9

IP(EA), eV:

 -8.48(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[5-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ylidene]acetate

Drug info:

PubChemData

Smile

CC1CCC(C(C1)OC(=O)C(C(C2=CC=C(C=C2)OC)SC3=C(C=CC(=C3)OC4=CC=CC=C4)N)O)C(C)C

DOS

IR

Vibrations