Geometry & MOs

Info

ID:

443269

PubChem CID:

135258335

Reduced:

IO3N4C11H13 (1)

Stoich.:

AB3C4D11E13 (1)

Weight, g/mol:

717.236302

ΔHf, kcal/mol:

-63.25

Dipole, Da:

0.53

IP(EA), eV:

-8.72(-1.01)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyloxy]-3-(6-aminopurin-9-yl)-1-hydroxy-2-oxabicyclo[3.1.0]hexan-4-yl] 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate

Drug info:

PubChemData

Smile

C1[C@H](O[C@@H]([C@@H]1O)N2C=C(C3=C(N=CN=C32)N)I)CO

DOS

IR

Vibrations