Geometry & MOs

Info

ID:	190441
PubChem CID:	78006590
Reduced:	IN5C20H20 (1)
Stoich.:	AB5C20D20 (1)
Weight, g/mol:	349.173667
ΔH_f, kcal/mol:	122.05
Dipole, Da:	3.83
IP(EA), eV:	-8.77(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhex-4-en-2-yl]propanamide

Drug info:

PubChemData

Smile

CC1CC(NN1)NC2=NC(=CC(=N2)C3=CC=CC=C3I)C4=CC=CC=C4

DOS

IR

Vibrations