Geometry & MOs

Info

ID:

219278

PubChem CID:

85098413

Reduced:

SN4O8C36H40 (1)

Stoich.:

AB4C8D36E40 (1)

Weight, g/mol:

694.401375

ΔHf, kcal/mol:

-242.4

Dipole, Da:

4.05

IP(EA), eV:

 -8.84(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCC(C(=O)N1CC(CC1C(=O)OC)OC2=CC=C(C=C2)C3=CC=CC=C3)N4C=C(N=C4)NC(=O)C5=CC=CC=C5S(=O)(=O)O

DOS

IR

Vibrations