Geometry & MOs

Info

ID:	16322
PubChem CID:	464383
Reduced:	N4O4C17H24 (1)
Stoich.:	A4B4C17D24 (1)
Weight, g/mol:	348.179755
ΔH_f, kcal/mol:	-127.92
Dipole, Da:	3.6
IP(EA), eV:	-8.55(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-[7-(cyclohexylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=C3C(=NC=C2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O

DOS

IR

Vibrations