Geometry & MOs

Info

ID:

308998

PubChem CID:

126533792

Reduced:

N8H18C23 (1)

Stoich.:

A8B18C23 (1)

Weight, g/mol:

484.156734

ΔHf, kcal/mol:

214.56

Dipole, Da:

6.74

IP(EA), eV:

 -8.67(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[5-carboxy-2-oxo-5-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonylamino]pentylidene]-iminoazanium

Drug info:

PubChemData

Smile

CC1=NC=C(N1C)C2=CC\3=C(NN/C3=C/4\C=C5C(=CN=CC5=N4)C6=CC=CC=N6)N=C2

DOS

IR

Vibrations