Geometry & MOs

Info

ID:

124939

PubChem CID:

50904883

Reduced:

Cl2N7O18H43C58 (1)

Stoich.:

A2B7C18D43E58 (1)

Weight, g/mol:

219.074287

ΔHf, kcal/mol:

-494.8

Dipole, Da:

9.84

IP(EA), eV:

 -9.22(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R,3R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]acetamide

Drug info:

PubChemData

Smile

C1[C@@H]2C(=O)N[C@@H](C3=CC(=CC(=C3)OC4=C(C=CC(=C4)[C@H](C(=O)N2)N)O)O)C(=O)N[C@@H]5C6=CC(=C(C(=C6)OC7=C(C=C(C=C7)[C@H]([C@H]8C(=O)N=C(C9=C(C(=CC(=C9)O)O)C2=C(C=CC(=C2)[C@H](C(=O)N8)NC5=O)O)C(=O)O)O)Cl)O)OC2=C(C=C1C=C2)Cl

DOS

IR

Vibrations