Geometry & MOs

Info

ID:	376470
PubChem CID:	134222485
Reduced:	F4N4O5H22C29 (1)
Stoich.:	A4B4C5D22E29 (1)
Weight, g/mol:	207.110673
ΔH_f, kcal/mol:	-271.12
Dipole, Da:	4.39
IP(EA), eV:	-9.32(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S,5R)-2-(2,3-dihydroxypropyl)piperidine-3,4,5-triol

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)C3=CN=NC=C3)CC(=O)N4C[C@@H](C[C@H]4C(=O)CC5=CC6=C(C=C5F)OC(O6)(F)F)F

DOS

IR

Vibrations