Geometry & MOs

Info

ID:

47534

PubChem CID:

10533931

Reduced:

NSO13C52H89 (1)

Stoich.:

ABC13D52E89 (1)

Weight, g/mol:

968.392

ΔHf, kcal/mol:

-630.24

Dipole, Da:

8.88

IP(EA), eV:

 -8.13(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,4,6-trimethyl-N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-N-[3-[(2,4,6-trimethylphenyl)sulfonyl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]amino]propyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C(C)(C)C)O)O)OS(=O)(=O)O)[C@@H](/C=C/CCCCCCCCCCCCC)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations