Geometry & MOs

Info

ID:

380828

PubChem CID:

134971397

Reduced:

SSiN6O10C66H92 (1)

Stoich.:

ABC6D10E66F92 (1)

Weight, g/mol:

364.097408

ΔHf, kcal/mol:

-417.11

Dipole, Da:

9.56

IP(EA), eV:

 -8.5(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2S,3S)-2,3-diamino-4-(2-methylsulfonyloxyethoxy)butoxy]ethyl methanesulfonate

Drug info:

PubChemData

Smile

CCCC(CC)O[Si](CCCOCCCCCCS(=O)(=O)CCC1CN2CC[C@@H]1C[C@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)OC)OC5=NN=C(C6=CC=CC=C65)O[C@@H]([C@@H]7CC8CCN7CC8CC)C9=C1C=C(C=CC1=NC=C9)OC)(OC)OCC

DOS

IR

Vibrations