Geometry & MOs

Info

ID:

186098

PubChem CID:

77390222

Reduced:

SO3N4C24H26 (1)

Stoich.:

AB3C4D24E26 (1)

Weight, g/mol:

537.197196

ΔHf, kcal/mol:

-12.35

Dipole, Da:

10.69

IP(EA), eV:

 -8.87(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-4-(1,3-dioxoisoindol-2-yl)butan-2-yl] carbamate

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1)N2CC3C(C3(C2)C)COC4=CN=C(C=C4)C5=CC=C(C=C5)S(=O)(=O)C

DOS

IR

Vibrations