Geometry & MOs

Info

ID:

116567

PubChem CID:

50566155

Reduced:

Cl2O5N6C35H46 (1)

Stoich.:

A2B5C6D35E46 (1)

Weight, g/mol:

664.257624

ΔHf, kcal/mol:

-239.16

Dipole, Da:

7.54

IP(EA), eV:

 -8.9(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[3-[(5-fluoro-2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCCC4)Cl

DOS

IR

Vibrations