Geometry & MOs

Info

ID:	320154
PubChem CID:	126658490
Reduced:	NC8H9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	424.158076
ΔH_f, kcal/mol:	156.71
Dipole, Da:	2.29
IP(EA), eV:	-8.98(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S,4S)-4,5-dihydroxy-6-(hydroxymethyl)-3-oxooxan-2-yl]oxy-3,5-dihydroxy-6-(2-methylbutan-2-yloxy)oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

C=C/C=C\C(=C/C=C)\N=N/C(=C/C=C)/C=C\C=C

DOS

IR

Vibrations