Geometry & MOs

Info

ID:	443280
PubChem CID:	135258387
Reduced:	ON3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	650.326204
ΔH_f, kcal/mol:	94.29
Dipole, Da:	3.02
IP(EA), eV:	-9.35(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)oxy-N-[6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]pentanamide

Drug info:

PubChemData

Smile

C#CCCC1(N=N1)CCC(=O)N2CCCCC2CC3=CC=CC=C3

DOS

IR

Vibrations