Geometry & MOs

Info

ID:	84826
PubChem CID:	49870196
Reduced:	SO3N5C22H27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	433.186238
ΔH_f, kcal/mol:	-37.31
Dipole, Da:	7.61
IP(EA), eV:	-9.37(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-N-pyridin-3-ylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2=C(N=CC=C2)OC)S(=O)(=O)N[C@H]3CCC[C@H](C3)N4C=NN=C4

DOS

IR

Vibrations