Geometry & MOs

Info

ID:

117167

PubChem CID:

50593850

Reduced:

Cl2F3N5O5C28H30 (1)

Stoich.:

A2B3C5D5E28F30 (1)

Weight, g/mol:

612.246311

ΔHf, kcal/mol:

-345.01

Dipole, Da:

7.38

IP(EA), eV:

 -9.09(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations