Geometry & MOs

Info

ID:	376472
PubChem CID:	134222487
Reduced:	O4N5C34H37 (1)
Stoich.:	A4B5C34D37 (1)
Weight, g/mol:	207.110673
ΔH_f, kcal/mol:	-64.02
Dipole, Da:	15.14
IP(EA), eV:	-8.78(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S,5S)-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)N4CCC[C@H]4C(=O)N[C@H]5CCCC[C@@H]5OCC6=CC=CC=C6

DOS

IR

Vibrations