Geometry & MOs

Info

ID:

303652

PubChem CID:

124490002

Reduced:

SN2O7C21H24 (1)

Stoich.:

AB2C7D21E24 (1)

Weight, g/mol:

389.206304

ΔHf, kcal/mol:

-213.7

Dipole, Da:

2.51

IP(EA), eV:

 -9.7(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aR,4S,6S,6aR)-4-[6-(cyclohexylamino)purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@H](O1)[C@@H](O[C@@H]([C@@H]2OC(=S)N3C=CN=C3)COC(=O)C4=CC=CC=C4)OC)C

DOS

IR

Vibrations