Geometry & MOs

Info

ID:

215130

PubChem CID:

85084202

Reduced:

N5O7C40H47 (1)

Stoich.:

A5B7C40D47 (1)

Weight, g/mol:

709.412274

ΔHf, kcal/mol:

-205.83

Dipole, Da:

2.71

IP(EA), eV:

 -8.92(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-2-[[2-[[2-(1,2-dihydroxyethyl)-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-1-(dodecanoylamino)-2-oxoethyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(NC(=O)C1CCCN(CC1=O)C(=O)CC2=CC(=CC=C2)C3=CC=CC=N3)NC(=O)C4=CC5=C(O4)C=CC(=C5)OCCN6CCOCC6

DOS

IR

Vibrations