Geometry & MOs

Info

ID:

171013

PubChem CID:

75311757

Reduced:

SO2N3H20C21 (1)

Stoich.:

AB2C3D20E21 (1)

Weight, g/mol:

470.202616

ΔHf, kcal/mol:

-15.21

Dipole, Da:

2.8

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.395898

Charge, e:

 0

Chem-info

IUPAC name:

5-[6-amino-2-[3-[cyclopropyl(methylcarbamoyl)amino]prop-1-ynyl]purin-9-yl]-N-cyclopropyl-3,4-dihydroxyoxolane-2-carboxamide

Drug info:

PubChemData

Smile

C[N+]1=C(SC2=CC=CC=C21)C=CC3=CC=C(C=C3)NC(=O)C4CCC(=O)N4

DOS

IR

Vibrations