Geometry & MOs

Info

ID:	16321
PubChem CID:	464382
Reduced:	ClN4O4C17H23 (1)
Stoich.:	AB4C4D17E23 (1)
Weight, g/mol:	382.140783
ΔH_f, kcal/mol:	-154.0
Dipole, Da:	5.29
IP(EA), eV:	-8.88(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=CC(=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)Cl

DOS

IR

Vibrations