Geometry & MOs

Info

ID:

124989

PubChem CID:

50906488

Reduced:

ClO2S2N3H16C17 (1)

Stoich.:

AB2C2D3E16F17 (1)

Weight, g/mol:

1105.524807

ΔHf, kcal/mol:

-2.26

Dipole, Da:

5.21

IP(EA), eV:

 -8.89(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6S)-6-ethylsulfanyl-4,5-bis(phenylmethoxy)-3-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 6-(3-methylimidazol-3-ium-1-yl)hexanoate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C(=S)N

DOS

IR

Vibrations