Geometry & MOs

Info

ID:	392115
PubChem CID:	135013061
Reduced:	N2F3O9C20H23 (1)
Stoich.:	A2B3C9D20E23 (1)
Weight, g/mol:	267.085521
ΔH_f, kcal/mol:	-522.2
Dipole, Da:	5.19
IP(EA), eV:	-9.74(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dihydropyrazolo[4,3-b]pyridin-7-one

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)CC2=NC=CC(=C2NC(=O)C(F)(F)F)OC)OC(=O)C)OC(=O)C

DOS

IR

Vibrations