Geometry & MOs

Info

ID:

44952

PubChem CID:

10506799

Reduced:

NO16C20H37 (1)

Stoich.:

AB16C20D37 (1)

Weight, g/mol:

547.275447

ΔHf, kcal/mol:

-710.75

Dipole, Da:

3.78

IP(EA), eV:

 -9.53(0.17)

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]undec-10-ynamide

Drug info:

PubChemData

Smile

C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)N

DOS

IR

Vibrations