Geometry & MOs

Info

ID:

83641

PubChem CID:

49859556

Reduced:

N2O5C15H16 (1)

Stoich.:

A2B5C15D16 (1)

Weight, g/mol:

624.132649

ΔHf, kcal/mol:

-127.19

Dipole, Da:

6.1

IP(EA), eV:

 -9.3(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S,4S,5R,6S)-6-[(3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC(=O)C(=CO2)O)C(=O)C3=CC=CO3

DOS

IR

Vibrations