Geometry & MOs

Info

ID:	176927
PubChem CID:	76114734
Reduced:	N3O5H17C19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	224.089603
ΔH_f, kcal/mol:	-136.69
Dipole, Da:	7.73
IP(EA), eV:	-9.68(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,3-trihydroxypropyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CC(C(=O)O)NC(=O)NC2=CC=C(C=C2)C#N

DOS

IR

Vibrations