Geometry & MOs

Info

ID:

232364

PubChem CID:

87576076

Reduced:

NO4C12H22 (1)

Stoich.:

AB4C12D22 (1)

Weight, g/mol:

2479.778121

ΔHf, kcal/mol:

-143.74

Dipole, Da:

3.51

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.763724

Charge, e:

 0

Chem-info

IUPAC name:

2-[bis[2-[[1,3-bis[[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy]-2-[[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]carbamothioylamino]ethyl]amino]ethyl-diazonioazanide

Drug info:

PubChemData

Smile

CC(=O)O[N+]1(C(CC(=O)CC1(C)C)(C)C)OC

DOS

IR

Vibrations