Geometry & MOs

Info

ID:

47395

PubChem CID:

10532294

Reduced:

N5O7C36H37 (1)

Stoich.:

A5B7C36D37 (1)

Weight, g/mol:

651.395562

ΔHf, kcal/mol:

-187.36

Dipole, Da:

8.28

IP(EA), eV:

 -8.7(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]-16-methoxyhexadecanamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)CN(C2=CC=CC=C2OCC(=O)N(C)C3=CC=CC=C3)C(=O)CNC(=O)NC4=CC=CC(=C4)CC(=O)OC

DOS

IR

Vibrations