Geometry & MOs

Info

ID:

132364

PubChem CID:

51349155

Reduced:

ClN2O8C49H65 (1)

Stoich.:

AB2C8D49E65 (1)

Weight, g/mol:

421.089011

ΔHf, kcal/mol:

-292.24

Dipole, Da:

7.11

IP(EA), eV:

 -9.48(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl sulfamate

Drug info:

PubChemData

Smile

CCCOC(=O)C(CO)(C(CCCNC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl)O)NC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

DOS

IR

Vibrations