Geometry & MOs

Info

ID:	148686
PubChem CID:	53788355
Reduced:	OSN5C13H17 (1)
Stoich.:	ABC5D13E17 (1)
Weight, g/mol:	269.126323
ΔH_f, kcal/mol:	62.94
Dipole, Da:	4.27
IP(EA), eV:	-8.68(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1,6-dihydroxyhexan-2-yl]-2,3-dihydroxybenzamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)CCCC(=S)NC2=CC=CC=C2OC

DOS

IR

Vibrations