Geometry & MOs

Info

ID:

443244

PubChem CID:

135258271

Reduced:

SN9O12C43H63 (1)

Stoich.:

AB9C12D43E63 (1)

Weight, g/mol:

407.92557

ΔHf, kcal/mol:

-397.97

Dipole, Da:

12.85

IP(EA), eV:

 -8.44(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,5R)-5-(4-amino-5,6-dibromopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol

Drug info:

PubChemData

Smile

CC1(C=N1)CCC(=O)OC2[C@H](OC([C@@H]2O)N3C=NC4=C(N=CN=C43)N)COC(=O)CCCC(=O)C(=C)CCCOCCOCCOCCCNC(=O)CCC/C=C\5/C6C(CS5)NC(N6)O

DOS

IR

Vibrations