Geometry & MOs

Info

ID:

144154

PubChem CID:

53322985

Reduced:

ClNSO5C27H30 (1)

Stoich.:

ABCD5E27F30 (1)

Weight, g/mol:

708.38783

ΔHf, kcal/mol:

-150.77

Dipole, Da:

3.25

IP(EA), eV:

 -9.28(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-6-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-[4-[(6-methoxyquinolin-8-yl)amino]pentylcarbamoylamino]hexanamide;hydrochloride

Drug info:

PubChemData

Smile

COC1(CCOCC1)C2=CC=CC(=C2)CN(C3=C(C=C(C=C3)Cl)OCC4=CC=CC=C4)S(=O)(=O)C

DOS

IR

Vibrations