Geometry & MOs

Info

ID:	327569
PubChem CID:	126690377
Reduced:	O5C17H28 (1)
Stoich.:	A5B17C28 (1)
Weight, g/mol:	459.197397
ΔH_f, kcal/mol:	-229.66
Dipole, Da:	1.82
IP(EA), eV:	-10.54(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-aminoethylamino)ethyl]-3-[2-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]ethoxy]propanamide

Drug info:

PubChemData

Smile

C1CC1(CCCCCC(CCCC2(CC2)C(=O)O)O)C(=O)O

DOS

IR

Vibrations