Geometry & MOs

Info

ID:

44810

PubChem CID:

10506022

Reduced:

SN4O8C23H24 (1)

Stoich.:

AB4C8D23E24 (1)

Weight, g/mol:

516.220677

ΔHf, kcal/mol:

-141.74

Dipole, Da:

6.09

IP(EA), eV:

 -9.13(-2.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1S)-2-methylidene-1-[(2-methylpropan-2-yl)oxy]-3-oxopentoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1N=O)C(C)C)OCC(=O)NN2C(SC(C2=O)CC(=O)O)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations