Geometry & MOs

Info

ID:

308176

PubChem CID:

125317223

Reduced:

N2O2C13H14 (1)

Stoich.:

A2B2C13D14 (1)

Weight, g/mol:

806.378359

ΔHf, kcal/mol:

-23.98

Dipole, Da:

7.51

IP(EA), eV:

-9.16(-1.32)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5S,6S)-6-[(2R,3S,4R,5S,6S)-6-[(2S,3R,4S,5S,6S)-6-decoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-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(C)C1=CC=C(C=C1)N2CC=NC(=O)C2=O

DOS

IR

Vibrations