Geometry & MOs

Info

ID:

214954

PubChem CID:

85083913

Reduced:

Cl2N2O4C37H44 (1)

Stoich.:

A2B2C4D37E44 (1)

Weight, g/mol:

652.354425

ΔHf, kcal/mol:

-190.16

Dipole, Da:

6.79

IP(EA), eV:

 -9.22(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2C(=O)NC(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)CN(C6=CC(=O)CCC36C)C(=O)OC(C)(C)C

DOS

IR

Vibrations