Geometry & MOs

Info

ID:	162790
PubChem CID:	57570864
Reduced:	NO5C12H21 (2)
Stoich.:	AB5C12D21 (2)
Weight, g/mol:	542.124886
ΔH_f, kcal/mol:	-437.77
Dipole, Da:	4.97
IP(EA), eV:	-9.76(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOC1=CC(=NC(=C1)CO)CO

DOS

IR

Vibrations