Geometry & MOs

Info

ID:

311957

PubChem CID:

126599439

Reduced:

O2N6C31H42 (1)

Stoich.:

A2B6C31D42 (1)

Weight, g/mol:

602.076992

ΔHf, kcal/mol:

-17.22

Dipole, Da:

2.8

IP(EA), eV:

 -7.96(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[(3aR,4R,6R,6aR)-6-[[diethoxyphosphoryl(ethylsulfonyl)methoxy]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2,6-dichloropurine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1C2=NC=C(N2)/C=C/C3=CC=C(C=C3)/C=C/C4=CNC(N4C)[C@@H]5CCCN5C

DOS

IR

Vibrations