Geometry & MOs

Info

ID:

186100

PubChem CID:

77390500

Reduced:

N7O7C25H27 (1)

Stoich.:

A7B7C25D27 (1)

Weight, g/mol:

537.197196

ΔHf, kcal/mol:

-217.71

Dipole, Da:

3.46

IP(EA), eV:

 -9.21(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(OC2C(OC(C2O1)N3C=NC4=C(N=CN=C43)N)CC(CCOC(=O)N)N5C(=O)C6=CC=CC=C6C5=O)C

DOS

IR

Vibrations