Geometry & MOs

Info

ID:

49903

PubChem CID:

11534230

Reduced:

ClO3N6C30H37 (1)

Stoich.:

AB3C6D30E37 (1)

Weight, g/mol:

565.204041

ΔHf, kcal/mol:

-61.42

Dipole, Da:

5.71

IP(EA), eV:

 -8.3(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-2,3,5-trihydroxy-6-(2-sulfanylethylamino)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC1(CC(CC(N1C)(C)C)OC2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC5=C4C(=O)N(C5)C)Cl)OC)C

DOS

IR

Vibrations