Geometry & MOs

Info

ID:

188949

PubChem CID:

77791600

Reduced:

NO10C13H21 (1)

Stoich.:

AB10C13D21 (1)

Weight, g/mol:

750.215795

ΔHf, kcal/mol:

-449.65

Dipole, Da:

4.97

IP(EA), eV:

 -10.13(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-[1-[2-(4-methanehydrazonoylphenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OCC(C(C1C(C(CC(O1)(C(=O)O)OC(=O)C)O)N)O)O

DOS

IR

Vibrations