Geometry & MOs

Info

ID:

232159

PubChem CID:

87575622

Reduced:

O8N10C11H22 (1)

Stoich.:

A8B10C11D22 (1)

Weight, g/mol:

1300.431126

ΔHf, kcal/mol:

10.16

Dipole, Da:

10.3

IP(EA), eV:

 -10.11(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3S,4R,5R,6R)-3,4,5-triacetyloxy-6-[3-[2-(hydroxymethyl)-3-[3-[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)thian-2-yl]propoxy]-2-[3-[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)thian-2-yl]propoxymethyl]propoxy]propyl]thian-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1CN(CN(CN(C1)[N+](=O)[O-])CN2CN(CCCN(C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations