Geometry & MOs

Info

ID:

83824

PubChem CID:

49861605

Reduced:

O2N4C25H38 (1)

Stoich.:

A2B4C25D38 (1)

Weight, g/mol:

549.30416

ΔHf, kcal/mol:

-95.22

Dipole, Da:

3.07

IP(EA), eV:

 -8.8(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[2-[[6-amino-9-[(3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-1,2,3,4,5,6,7,8-octahydropurin-2-yl]amino]ethyl]cyclohexyl]propanoic acid;hydrochloride

Drug info:

PubChemData

Smile

CC(C)C1CCC2C(C1)C(=O)N3C=C(C=CC3=N2)C(=O)NCCCCC4CCNCC4

DOS

IR

Vibrations