Geometry & MOs

Info

ID:

120522

PubChem CID:

50731386

Reduced:

Cl2O4N5C34H37 (1)

Stoich.:

A2B4C5D34E37 (1)

Weight, g/mol:

619.15609

ΔHf, kcal/mol:

-137.8

Dipole, Da:

8.15

IP(EA), eV:

 -8.81(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-2,6-dimethylanilino)-1-oxopropan-2-yl]-1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations