Geometry & MOs

Info

ID:

305118

PubChem CID:

124766544

Reduced:

N2O8C33H34 (1)

Stoich.:

A2B8C33D34 (1)

Weight, g/mol:

508.205695

ΔHf, kcal/mol:

-209.1

Dipole, Da:

3.08

IP(EA), eV:

 -8.89(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[4-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenyl]anilino]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2C(=O)[C@@H]3[C@H](C2=O)C4([C@@H]5[C@H](C3C(=C4C(=O)OCC)C)C(=O)N(C5=O)C6=CC=CC=C6OCC)C

DOS

IR

Vibrations