Geometry & MOs

Info

ID:

47003

PubChem CID:

10528879

Reduced:

N2O5C28H40 (1)

Stoich.:

A2B5C28D40 (1)

Weight, g/mol:

485.182295

ΔHf, kcal/mol:

-232.76

Dipole, Da:

3.77

IP(EA), eV:

 -9.52(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aR,4R,6S,6aS)-N-ethyl-4-[6-[(2-fluorophenyl)carbamoylamino]purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(C2CCCCC2)[C@H](C(=O)N3CCC[C@H]3C(=O)O)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations