Geometry & MOs

Info

ID:

384896

PubChem CID:

134977891

Reduced:

PSSiN8O13C63H71 (1)

Stoich.:

ABCD8E13F63G71 (1)

Weight, g/mol:

442.037559

ΔHf, kcal/mol:

-433.12

Dipole, Da:

10.05

IP(EA), eV:

 -8.78(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2,2,2-trifluoroacetyl) phosphate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)COP(=S)(C)O[C@@H]5[C@H](O[C@H]([C@@H]5OC)N6C=CC(=NC6=O)NC(=O)C7=CC=CC=C7)COC(C8=CC=CC=C8)(C9=CC=C(C=C9)OC)C1=CC=C(C=C1)OC

DOS

IR

Vibrations