Geometry & MOs

Info

ID:

181769

PubChem CID:

76791068

Reduced:

P2N4O18C75H146 (1)

Stoich.:

A2B4C18D75E146 (1)

Weight, g/mol:

449.227434

ΔHf, kcal/mol:

-1222.12

Dipole, Da:

4.35

IP(EA), eV:

 -9.61(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4-dihydroxy-5-[6-[(2-hydroxycyclopentyl)amino]purin-9-yl]oxolan-2-yl]methyl 3,3-dimethylbutanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)NC(COCCC(CCCCCCC)OC(=O)C)COP(=O)(O)OCCNC(=O)CC(=O)NCCOP(=O)(O)OCC(COCCC(CCCCCCC)OC(=O)CCCCCCCCCCC)NC(=O)CCCCCCCCCCCCC

DOS

IR

Vibrations