Geometry & MOs

Info

ID:

119230

PubChem CID:

50674725

Reduced:

Cl2N6O6C31H38 (1)

Stoich.:

A2B6C6D31E38 (1)

Weight, g/mol:

647.15101

ΔHf, kcal/mol:

-240.43

Dipole, Da:

6.35

IP(EA), eV:

 -9.26(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-1-[2-[2-chloro-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)Cl)C(=O)N(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl

DOS

IR

Vibrations