Geometry & MOs

Info

ID:

186099

PubChem CID:

77390499

Reduced:

N7O7C25H27 (1)

Stoich.:

A7B7C25D27 (1)

Weight, g/mol:

537.197196

ΔHf, kcal/mol:

-217.87

Dipole, Da:

4.67

IP(EA), eV:

 -9.15(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(OC2C(OC(C2O1)N3C=NC4=C(N=CN=C43)N)CC(CCN5C(=O)C6=CC=CC=C6C5=O)OC(=O)N)C

DOS

IR

Vibrations