Geometry & MOs

Info

ID:

232135

PubChem CID:

87575586

Reduced:

SN3O6C21H21 (1)

Stoich.:

AB3C6D21E21 (1)

Weight, g/mol:

1341.403531

ΔHf, kcal/mol:

-195.49

Dipole, Da:

7.18

IP(EA), eV:

 -9.22(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC\2=C(C=C1)NC(=O)/C2=C/C3=C(C4=C(N3)CCCC4=O)CCC(=O)O

DOS

IR

Vibrations