Geometry & MOs

Info

ID:

47261

PubChem CID:

10530999

Reduced:

BrSSiO4C27H37 (1)

Stoich.:

ABCD4E27F37 (1)

Weight, g/mol:

530.372284

ΔHf, kcal/mol:

-183.52

Dipole, Da:

2.89

IP(EA), eV:

 -8.56(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

tributyl-[[2-[3-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino]propyl]-1,3-oxazol-4-yl]methyl]phosphanium

Drug info:

PubChemData

Smile

C[C@H]1CCC(C(=O)[C@@H]1CC2=CC(=C(C=C2O[Si](C)(C)C(C)(C)C)Br)OC)S(=O)C3=CC=CC=C3

DOS

IR

Vibrations