Geometry & MOs

Info

ID:

392212

PubChem CID:

135013693

Reduced:

N3O3H19C21 (1)

Stoich.:

A3B3C19D21 (1)

Weight, g/mol:

1024.284201

ΔHf, kcal/mol:

-32.52

Dipole, Da:

6.0

IP(EA), eV:

 -9.14(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,6R)-4,5-diacetyloxy-6-[[(2R,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]carbamothioylamino]-3-[(2S,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=C2C3=CC=CC=C3N(C2=N1)CC4=CC=CC=C4)CO

DOS

IR

Vibrations