Geometry & MOs

Info

ID:

443207

PubChem CID:

135258102

Reduced:

S2O7N9C30H41 (1)

Stoich.:

A2B7C9D30E41 (1)

Weight, g/mol:

477.179438

ΔHf, kcal/mol:

-273.84

Dipole, Da:

3.17

IP(EA), eV:

 -9.12(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-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]2[C@@H]([C@@H](S1)CCCCC(=O)OCC3CC(C(O3)N4C=NC5=C(N=CN=C54)N)OC(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)NC(=O)N2

DOS

IR

Vibrations