Geometry & MOs

Info

ID:

215159

PubChem CID:

85084286

Reduced:

Cl2O5N7C37H39 (1)

Stoich.:

A2B5C7D37E39 (1)

Weight, g/mol:

659.285617

ΔHf, kcal/mol:

-165.37

Dipole, Da:

6.9

IP(EA), eV:

 -8.89(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(6-acetamidopyridin-3-yl)-N-[[1-[2,4-diacetamido-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]pyrrol-2-yl]methyl]but-2-enamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3NC(=O)C)N4C=CC=C4CNC(=O)C=CCC5=CN=C(C=C5)NC(=O)C)NC(=O)C)C=C1.Cl.Cl

DOS

IR

Vibrations