Geometry & MOs

Info

ID:

220096

PubChem CID:

85165236

Reduced:

N2P2C19O19H30 (1)

Stoich.:

A2B2C19D19E30 (1)

Weight, g/mol:

650.226944

ΔHf, kcal/mol:

-982.6

Dipole, Da:

4.31

IP(EA), eV:

 -10.54(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[6-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3CCC(=O)NC3=O)OC(=O)C)O)O)O)O

DOS

IR

Vibrations