Geometry & MOs

Info

ID:	128901
PubChem CID:	51062967
Reduced:	ON2C27H42 (1)
Stoich.:	AB2C27D42 (1)
Weight, g/mol:	500.221739
ΔH_f, kcal/mol:	-58.71
Dipole, Da:	4.77
IP(EA), eV:	-8.37(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5R,6R)-5-amino-2,6-bis(hydroxymethyl)oxane-3,4-diol;4-[[(2R,3R,4S,6S)-4-hydroxy-2,5,6-tris(hydroxymethyl)oxan-3-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOC1=CC2=C(C=C1)C3=C(CC2)C=NN3

DOS

IR

Vibrations