Geometry & MOs

Info

ID:

83703

PubChem CID:

49860359

Reduced:

ClN2O3C23H31 (1)

Stoich.:

AB2C3D23E31 (1)

Weight, g/mol:

812.543863

ΔHf, kcal/mol:

-102.4

Dipole, Da:

4.7

IP(EA), eV:

 -8.66(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[(2-methoxyphenyl)methyl]-N-[2-[2-[12-[(2-methoxyphenyl)methylamino]dodecylamino]ethyldisulfanyl]ethyl]dodecane-1,12-diamine;hydrate;hydrochloride

Drug info:

PubChemData

Smile

CCN(CC)CCCCOC1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3O2.O.Cl

DOS

IR

Vibrations