Geometry & MOs

Info

ID:

162807

PubChem CID:

57570976

Reduced:

N4O13C30H30 (1)

Stoich.:

A4B13C30D30 (1)

Weight, g/mol:

500.114321

ΔHf, kcal/mol:

-280.43

Dipole, Da:

11.27

IP(EA), eV:

 -9.75(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[3-[methyl-[2-methyl-2-(methyldisulfanyl)propyl]amino]propyl]-6-(methylsulfonyloxymethyl)pyridin-2-yl]methyl methanesulfonate

Drug info:

PubChemData

Smile

CC(=O)OC1CC(=C)CN1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OCOC3=C(C=C(C(=C3)[N+](=O)[O-])C(=O)N4CC(=C)C[C@H]4C=O)OC)OC

DOS

IR

Vibrations