Geometry & MOs

Info

ID:

232216

PubChem CID:

87575727

Reduced:

O2F3N5H16C21 (1)

Stoich.:

A2B3C5D16E21 (1)

Weight, g/mol:

966.265672

ΔHf, kcal/mol:

-106.32

Dipole, Da:

4.63

IP(EA), eV:

 -9.32(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[2-isothiocyanatoethyl-[2-[[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]carbamothioylamino]ethyl]amino]ethylcarbamothioylamino]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C2=CC=C(C=C2)F)CNC(=O)C3=CN4C(=NN(C4=O)CC(F)F)C=C3

DOS

IR

Vibrations