Geometry & MOs

Info

ID:

315286

PubChem CID:

126625401

Reduced:

N5O8C57H63 (1)

Stoich.:

A5B8C57D63 (1)

Weight, g/mol:

452.161518

ΔHf, kcal/mol:

-226.32

Dipole, Da:

3.2

IP(EA), eV:

 -8.88(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-(3-chloro-7-methoxyquinoxalin-2-yl)hexan-2-yl]-7-methoxy-1H-quinoxalin-2-one

Drug info:

PubChemData

Smile

C1CN(CCC1COC(=O)C(C2=CC=CC=C2)C3=CC(=CC=C3)OCC(=O)N4CCC5(CC4)CCN(CC5)C(=O)C6=CC=C(C=C6)CNC[C@@H](C7=C8C=CC(=O)NC8=C(C=C7)O)O)CC9=CC=CC=C9

DOS

IR

Vibrations