Geometry & MOs

Info

ID:

410430

PubChem CID:

135083226

Reduced:

NO6C10H14 (2)

Stoich.:

AB6C10D14 (2)

Weight, g/mol:

489.159473

ΔHf, kcal/mol:

-420.44

Dipole, Da:

1.62

IP(EA), eV:

 -9.83(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(E)-[6-[(Z)-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyiminomethyl]pyridin-2-yl]methylideneamino]oxyoxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=N/O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/C=N\O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

DOS

IR

Vibrations