Geometry & MOs

Info

ID:

116516

PubChem CID:

50563758

Reduced:

Cl2O5N6C29H36 (1)

Stoich.:

A2B5C6D29E36 (1)

Weight, g/mol:

622.210674

ΔHf, kcal/mol:

-197.51

Dipole, Da:

8.49

IP(EA), eV:

 -8.87(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[4-[(3-fluorobenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)Cl)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC

DOS

IR

Vibrations