Geometry & MOs

Info

ID:

220130

PubChem CID:

85165277

Reduced:

O2N3C11H13 (3)

Stoich.:

A2B3C11D13 (3)

Weight, g/mol:

657.348611

ΔHf, kcal/mol:

-142.36

Dipole, Da:

11.7

IP(EA), eV:

 -9.3(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[2-(1,2-dihydroxyethyl)-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]-12-phenoxydodecanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C)N1C(=NN=N1)C(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)OC(=O)C

DOS

IR

Vibrations