Geometry & MOs

Info

ID:

178835

PubChem CID:

76387737

Reduced:

O7N9C50H59 (1)

Stoich.:

A7B9C50D59 (1)

Weight, g/mol:

613.248724

ΔHf, kcal/mol:

-197.9

Dipole, Da:

3.55

IP(EA), eV:

 -7.99(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[6-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]purin-9-yl]-3-methylidenecyclopentyl] benzoate

Drug info:

PubChemData

Smile

CC(C)C(CC(=O)OC)C(=O)N1CCCC1C2=NC3=C(N2)C=C(C=C3)C4CCC(N4C5=CC=C(C=C5)C6=NC=CO6)C7=CC8=C(C=C7)N=C(N8)C9CCCN9C(=O)C(C(C)C)NC(=O)OC

DOS

IR

Vibrations